diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
170 files changed, 2195 insertions, 0 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 new file mode 100644 index 000000000000..d883a9408e27 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python framework for Gromacs +EAPI=5 +HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.1.tar.gz -> GromacsWrapper-0.3.1.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=391de03515f3c8a5dd2933589fd4195a diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 new file mode 100644 index 000000000000..9da07b16dd0c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python framework for Gromacs +EAPI=5 +HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.2.tar.gz -> GromacsWrapper-0.3.2.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=33af38381822cf4cbc69c643ed3b6525 diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 new file mode 100644 index 000000000000..41092a790d7d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python framework for Gromacs +EAPI=6 +HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.5.1.tar.gz -> GromacsWrapper-0.5.1.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=6474bf6d012709e361f4b195d481caef diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 new file mode 100644 index 000000000000..b8ca9567a25f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +DESCRIPTION=Parameter/topology editor and molecular simulator +EAPI=6 +HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html +IUSE=python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=~amd64 ~x86 +LICENSE=LGPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0 +SRC_URI=https://github.com/ParmEd/ParmEd/archive/2.7.3.tar.gz -> ParmEd-2.7.3.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=bd0aae20d1121c134defe3190961693a diff --git a/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 b/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 new file mode 100644 index 000000000000..68e6c5082bc2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/opengl X? ( dev-python/PyQt4[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyqwt[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) hdf5? ( dev-python/h5py[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) matplotlib? ( dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=X-ray Fluorescence Toolkit +EAPI=5 +HOMEPAGE=http://pymca.sourceforge.net/ +IUSE=X hdf5 matplotlib python_targets_python2_7 +KEYWORDS=~x86 ~amd64 +LICENSE=GPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/opengl X? ( dev-python/PyQt4[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyqwt[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) hdf5? ( dev-python/h5py[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) matplotlib? ( dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=mirror://sourceforge/project/pymca/pymca/PyMca4.6.2/pymca4.6.2-src.tgz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=862589e1ddd3f9ab76894b2e291399fa diff --git a/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 new file mode 100644 index 000000000000..d6f61406bd62 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=virtual/pkgconfig doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +DESCRIPTION=Evaluation of electrostatic properties of nanoscale biomolecular systems +EAPI=5 +HOMEPAGE=http://www.poissonboltzmann.org/apbs/ +IUSE=debug doc examples fast +fetk iapbs mpi openmp python tools python_targets_python2_7 +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] virtual/blas sys-libs/readline fetk? ( sci-libs/fetk sci-libs/amd sci-libs/umfpack sci-libs/superlu ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +REQUIRED_USE=iapbs? ( fetk ) mpi? ( !python ) python? ( tools fetk iapbs python_targets_python2_7 ) python_targets_python2_7 +SLOT=0 +SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/archive/74fcb8676de69ed04ddab8976a8b05a6caaf4d65.zip -> apbs-1.4.1.zip +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=b04838eb8d0fe55b17589c3ab6d29280 diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 new file mode 100644 index 000000000000..c084478df344 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install nofetch prepare setup +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Program suite in this distribution calculates restraint violations +EAPI=6 +HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html +IUSE=doc examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=procheck +RDEPEND=sci-chemistry/procheck virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz ) +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=868759d8f308e88b1f25a24237a4b29a diff --git a/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 b/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 new file mode 100644 index 000000000000..779b6b3f45ac --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install nofetch setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix dev-lang/tk:0= >=dev-python/numpy-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+),tk] >=sci-chemistry/cns-1.2.1-r7[aria,openmp] >=sci-chemistry/ccpn-2.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/clashlist sci-chemistry/procheck sci-libs/clashscore-db +DESCRIPTION=Automated NOE assignment and NMR structure calculation +EAPI=5 +HOMEPAGE=http://aria.pasteur.fr/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=cns +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix dev-lang/tk:0= >=dev-python/numpy-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+),tk] >=sci-chemistry/cns-1.2.1-r7[aria,openmp] >=sci-chemistry/ccpn-2.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/clashlist sci-chemistry/procheck sci-libs/clashscore-db +REQUIRED_USE=python_targets_python2_7 +RESTRICT=fetch +SLOT=0 +SRC_URI=http://aria.pasteur.fr/archives/aria2.3.2_08.26.2013.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=3618f8495068d3edb53c83c9dca1db93 diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 new file mode 100644 index 000000000000..8267441dc0c3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=test? ( || ( >=dev-lang/python-2.7.5-r2:2.7 ) ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A suite of automated docking tools +EAPI=5 +HOMEPAGE=http://autodock.scripps.edu/ +IUSE=examples openmp test +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +SLOT=0 +SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e python-any-r1 27d7f9da7187d283b7f3eae8390b7b09 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=237a416a34f2866e72cbf3f6e1457f06 diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 new file mode 100644 index 000000000000..751713da1ef1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/boost[threads] +DESCRIPTION=Program for drug discovery, molecular docking and virtual screening +EAPI=5 +HOMEPAGE=http://vina.scripps.edu/ +IUSE=debug +KEYWORDS=amd64 x86 +LICENSE=Apache-2.0 +RDEPEND=dev-libs/boost[threads] +SLOT=0 +SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5cede7d56a643e731ae4d39e6f4cba3d diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 new file mode 100644 index 000000000000..4cc0d45357d6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=sci-chemistry/openbabel-2.2.3 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) dev-cpp/eigen:2 sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL +EAPI=5 +HOMEPAGE=http://avogadro.openmolecules.net/ +IUSE=+glsl python cpu_flags_x86_sse2 python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.2.3 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python? ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=mirror://sourceforge/avogadro/avogadro-1.0.3.tar.bz2 +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=1c0862d00b05d8a7c351864e27db9d8d diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 b/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 new file mode 100644 index 000000000000..82ffcf38137c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) dev-cpp/eigen:2 sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL +EAPI=5 +HOMEPAGE=http://avogadro.openmolecules.net/ +IUSE=+glsl python cpu_flags_x86_sse2 test python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python? ( python_targets_python2_7 ) +RESTRICT=test +SLOT=0 +SRC_URI=mirror://sourceforge/avogadro/avogadro-1.1.0.tar.bz2 +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=22c78f046b4aa5bf0253a302639c3da0 diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 b/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 new file mode 100644 index 000000000000..5c4230be36da --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.8.5:4 >=dev-qt/qtopengl-4.8.5:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) virtual/pkgconfig dev-cpp/eigen sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL +EAPI=6 +HOMEPAGE=http://avogadro.openmolecules.net/ +IUSE=+glsl python cpu_flags_x86_sse2 test python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.8.5:4 >=dev-qt/qtopengl-4.8.5:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python? ( python_targets_python2_7 ) +RESTRICT=test +SLOT=0 +SRC_URI=mirror://sourceforge/project/avogadro/avogadro/1.1.1/avogadro-1.1.1.tar.bz2 +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=bd4587ace94a8bbc943813939f380590 diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-0.9.0 b/metadata/md5-cache/sci-chemistry/avogadro2-0.9.0 new file mode 100644 index 000000000000..28e56ccf84b5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro2-0.9.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-cpp/eigen:3 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Advanced molecule editor and visualizer 2 +EAPI=6 +HOMEPAGE=http://www.openchemistry.org/ +IUSE=doc rpc test vtk +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD GPL-2+ +RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtopengl:5 dev-qt/qtwidgets:5 ~sci-libs/avogadrolibs-0.9.0[qt5,opengl] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue ) +RESTRICT=test +SLOT=0 +SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/0.9.0.tar.gz -> avogadro2-0.9.0.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=51c5d09273d4065b539208037719dc85 diff --git a/metadata/md5-cache/sci-chemistry/azara-2.8-r5 b/metadata/md5-cache/sci-chemistry/azara-2.8-r5 new file mode 100644 index 000000000000..7e4983a96159 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/azara-2.8-r5 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install postinst prepare +DEPEND=x11-libs/libX11 x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] xpm? ( x11-libs/libXpm ) +DESCRIPTION=A suite of programmes to process and view NMR data +EAPI=5 +HOMEPAGE=http://www.bio.cam.ac.uk/azara/ +IUSE=xpm X python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=AZARA +RDEPEND=x11-libs/libX11 x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] xpm? ( x11-libs/libXpm ) +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.bio.cam.ac.uk/ccpn/download/azara/azara-2.8-src.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=61397fa3a1756dbcec5590340b3bf4e1 diff --git a/metadata/md5-cache/sci-chemistry/ball-1.4.2-r2 b/metadata/md5-cache/sci-chemistry/ball-1.4.2-r2 new file mode 100644 index 000000000000..49ca71b882dd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ball-1.4.2-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 dev-qt/qttest:4 media-libs/glew:0 sci-libs/fftw:3.0[threads?] sci-libs/gsl sci-libs/libsvm sci-mathematics/lpsolve virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) sql? ( dev-qt/qtsql:4 ) dev-python/sip sys-devel/bison virtual/yacc sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Biochemical Algorithms Library +EAPI=6 +HOMEPAGE=http://www.ball-project.org/ +IUSE=cuda mpi +python sql test +threads python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=LGPL-2 GPL-3 +RDEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 dev-qt/qttest:4 media-libs/glew:0 sci-libs/fftw:3.0[threads?] sci-libs/gsl sci-libs/libsvm sci-mathematics/lpsolve virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) sql? ( dev-qt/qtsql:4 ) +REQUIRED_USE=python? ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.ball-project.org/Downloads/v1.4.2/BALL-1.4.2.tar.xz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=659ac8d204f212cbf93fd1ad490d4f1b diff --git a/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 new file mode 100644 index 000000000000..1f7ebfa82435 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=cairo? ( dev-python/pycairo[svg,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Chemical drawing program +EAPI=5 +HOMEPAGE=http://bkchem.zirael.org/ +IUSE=cairo python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=cairo? ( dev-python/pycairo[svg,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://bkchem.zirael.org/download/bkchem-0.14.0-pre2.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=4cf3caa12dff715fc57363107b78662e diff --git a/metadata/md5-cache/sci-chemistry/bodr-10 b/metadata/md5-cache/sci-chemistry/bodr-10 new file mode 100644 index 000000000000..707a250a1e7e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bodr-10 @@ -0,0 +1,10 @@ +DEFINED_PHASES=configure prepare +DEPEND=dev-libs/libxslt +DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/bodr +KEYWORDS=~amd64 ~x86 ~ppc-macos +LICENSE=MIT +SLOT=0 +SRC_URI=mirror://sourceforge/bodr/bodr-10.tar.bz2 +_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7 diff --git a/metadata/md5-cache/sci-chemistry/bodr-9-r1 b/metadata/md5-cache/sci-chemistry/bodr-9-r1 new file mode 100644 index 000000000000..7443e10569f1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bodr-9-r1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=configure prepare +DEPEND=dev-libs/libxslt +DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/bodr +KEYWORDS=~amd64 ~x86 ~ppc-macos +LICENSE=MIT +SLOT=0 +SRC_URI=mirror://sourceforge/bodr/bodr-9.tar.bz2 +_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7 diff --git a/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 b/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 new file mode 100644 index 000000000000..612478b5a19a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/g-wrap dev-libs/glib:2 dev-scheme/guile[networking,regex] dev-scheme/guile-cairo dev-scheme/guile-gnome-platform sci-libs/starparse x11-libs/gtk+:2 dev-util/indent virtual/pkgconfig doc? ( app-doc/doxygen ) >=app-portage/elt-patches-20170422 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Visualize multidimensional nuclear magnetic resonance (NMR) spectra +EAPI=5 +HOMEPAGE=http://burrow-owl.sourceforge.net/ +IUSE=doc examples static-libs test +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/g-wrap dev-libs/glib:2 dev-scheme/guile[networking,regex] dev-scheme/guile-cairo dev-scheme/guile-gnome-platform sci-libs/starparse x11-libs/gtk+:2 +SLOT=0 +SRC_URI=mirror://sourceforge/burrow-owl/burrow-owl-1.5.1.tar.gz examples? ( mirror://sourceforge/burrow-owl/burrow-demos.tar ) +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af virtualx 171580f737f5aaf18fcb456548588066 +_md5_=5f0bc5f8fea2aeba8ccde1148ad9f789 diff --git a/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 new file mode 100644 index 000000000000..ae2f9994fd3e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install +DESCRIPTION=Analysis of NMR spectra and Computer Aided Resonance Assignment +EAPI=5 +HOMEPAGE=http://www.nmr.ch +IUSE=lua +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CARA +RDEPEND=!prefix? ( >=media-libs/fontconfig-2.10.92[abi_x86_32(-)] >=media-libs/freetype-2.5.0.1[abi_x86_32(-)] >=x11-libs/libICE-1.0.8-r1[abi_x86_32(-)] >=x11-libs/libSM-1.2.1-r1[abi_x86_32(-)] >=x11-libs/libX11-1.6.2[abi_x86_32(-)] >=x11-libs/libXcursor-1.1.14[abi_x86_32(-)] >=x11-libs/libXext-1.3.2[abi_x86_32(-)] >=x11-libs/libXi-1.7.2[abi_x86_32(-)] >=x11-libs/libXrandr-1.4.2[abi_x86_32(-)] >=x11-libs/libXrender-0.9.8[abi_x86_32(-)] ) virtual/libstdc++ lua? ( dev-lang/lua ) +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cara.nmr-software.org/downloads/cara_1.8.4_linux.gz https://dev.gentoo.org/~jlec/distfiles//Start1.2.cara.xz +_md5_=a3db6a9ce9e58ca7b5d739c5f5cba2ec diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 new file mode 100644 index 000000000000..0774029aaf1d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.1*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.1*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.1.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.1-150226.patch.xz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=a4f8d026829b291c8cdfd8ad9fa487ae diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 new file mode 100644 index 000000000000..de3ddd6a54f4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=e900682ef2dda7306d89814e41121f85 diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 new file mode 100644 index 000000000000..ea4c26c246d1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150325.patch.xz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=a4f8d026829b291c8cdfd8ad9fa487ae diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 new file mode 100644 index 000000000000..03c6989ab936 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150413.patch.xz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=a4f8d026829b291c8cdfd8ad9fa487ae diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 new file mode 100644 index 000000000000..840f30ae4eff --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150421.patch.xz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=a4f8d026829b291c8cdfd8ad9fa487ae diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 new file mode 100644 index 000000000000..38b5fd50870e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt media-gfx/imagemagick[xml,png,svg] media-gfx/inkscape virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A collection of data files to add support for chemical MIME types +EAPI=5 +HOMEPAGE=http://chemical-mime.sourceforge.net/ +KEYWORDS=amd64 x86 +LICENSE=LGPL-2.1 +RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info +SLOT=0 +SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fdo-mime 995b19d3f30e956b4e1bc5a91fdc4ea7 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=05c326368174a5f93dea291b476ac17f diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 new file mode 100644 index 000000000000..ea9dbf028b1d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 @@ -0,0 +1,12 @@ +DEFINED_PHASES=configure postinst postrm preinst prepare +DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 dev-util/desktop-file-utils x11-misc/shared-mime-info +DESCRIPTION=A collection of data files to add support for chemical MIME types +EAPI=6 +HOMEPAGE=http://chemical-mime.sourceforge.net/ +KEYWORDS=amd64 arm x86 +LICENSE=LGPL-2.1 +RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info +SLOT=0 +SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 libtool 0081a71a261724730ec4c248494f044d multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af xdg 6cd76cc914c1a759dee032778487b57f xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=1487b2e6f40664c22cb2b54cc15c7fcc diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 new file mode 100644 index 000000000000..56d8e7364f42 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A GTK program for drawing organic molecules +EAPI=4 +HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ +IUSE=emf gnome nls +KEYWORDS=amd64 ppc x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) +SLOT=0 +SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.13.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=0419d3fd05ddf3d1ba49544e92c6f6e4 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 new file mode 100644 index 000000000000..ba045f0a4ae4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A GTK program for drawing organic molecules +EAPI=5 +HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ +IUSE=emf gnome nls +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) +SLOT=0 +SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=e9b083053d5fe0e1f7cf3a6f14238366 diff --git a/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 new file mode 100644 index 000000000000..0bc226fa0e11 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe +DESCRIPTION=Build lists of van der Waals clashes from an input PDB file +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +RDEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe +SLOT=0 +SRC_URI=mirror://gentoo/molprobity-3.17.tgz +_md5_=a77e7433a491d66a2fbf450027a02d66 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 new file mode 100644 index 000000000000..df64257d1c8d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Build lists of collections of interacting items +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=8d18d1acbf26b98dedd17ce5f26b5f45 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 new file mode 100644 index 000000000000..ea123c87f52e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Build lists of collections of interacting items +EAPI=5 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=08b47969621aa7aec0ce1305311b8854 diff --git a/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 b/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 new file mode 100644 index 000000000000..20e43c6b3bad --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install nofetch postinst prepare setup test +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Crystallography and NMR System +EAPI=5 +HOMEPAGE=http://cns.csb.yale.edu/ +IUSE=aria openmp +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=cns +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch test +SLOT=0 +SRC_URI=cns_solve_1.21_all-mp.tar.gz aria? ( aria2.3.2.tar.gz ) +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5916cc396ab6f9cc576a6b6ad324cca0 diff --git a/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 b/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 new file mode 100644 index 000000000000..c660a5c8ad89 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install nofetch postinst prepare setup test +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Crystallography and NMR System +EAPI=5 +HOMEPAGE=http://cns.csb.yale.edu/ +IUSE=aria openmp +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=cns +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=cns_solve_1.3_all.tar.gz aria? ( aria2.3.1.tar.gz ) +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=37e7e7a3bac4cfcc2fd11c1701ec9719 diff --git a/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 b/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 new file mode 100644 index 000000000000..6c2d83762414 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test unpack +DEPEND=sci-libs/libccp4 sci-libs/clipper >=sci-libs/coot-data-2 >=sci-libs/gsl-1.3 sci-libs/fftw:2.1= sci-libs/mmdb:2 sci-libs/monomer-db sci-libs/ssm sci-chemistry/reduce sci-chemistry/probe gnome-base/libgnomecanvas gnome-base/librsvg:2 media-libs/libpng:0= media-libs/freeglut x11-libs/gtk+:2 x11-libs/goocanvas:0 x11-libs/gtkglext virtual/opengl <dev-scheme/guile-2 dev-scheme/net-http dev-scheme/guile-gui >=dev-scheme/guile-lib-0.1.6 dev-scheme/guile-www >=x11-libs/guile-gtk-2.1 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-db/sqlite:3 dev-libs/boost:0=[python,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-libs/glib:2 >=dev-libs/gmp-4.2.2-r2:0= dev-python/pygobject:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/pygtk:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=net-misc/curl-7.19.6 net-dns/libidn sys-libs/readline:0= virtual/pkgconfig >=sys-devel/libtool-2.4-r2 dev-lang/swig sys-devel/bc test? ( dev-scheme/greg ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Crystallographic Object-Oriented Toolkit +EAPI=5 +HOMEPAGE=https://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/ +IUSE=+openmp static-libs test python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/libccp4 sci-libs/clipper >=sci-libs/coot-data-2 >=sci-libs/gsl-1.3 sci-libs/fftw:2.1= sci-libs/mmdb:2 sci-libs/monomer-db sci-libs/ssm sci-chemistry/reduce sci-chemistry/probe gnome-base/libgnomecanvas gnome-base/librsvg:2 media-libs/libpng:0= media-libs/freeglut x11-libs/gtk+:2 x11-libs/goocanvas:0 x11-libs/gtkglext virtual/opengl <dev-scheme/guile-2 dev-scheme/net-http dev-scheme/guile-gui >=dev-scheme/guile-lib-0.1.6 dev-scheme/guile-www >=x11-libs/guile-gtk-2.1 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-db/sqlite:3 dev-libs/boost:0=[python,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-libs/glib:2 >=dev-libs/gmp-4.2.2-r2:0= dev-python/pygobject:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/pygtk:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=net-misc/curl-7.19.6 net-dns/libidn sys-libs/readline:0= +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=http://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/source/releases/coot-0.8.2.tar.gz test? 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( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/pkgconfig +DESCRIPTION=A crystallographic real-space electron-density refinement & optimization program +EAPI=5 +HOMEPAGE=http://www.gromacs.org/pipermail/eden-users/ +IUSE=double-precision python_targets_python2_7 +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=sci-libs/fftw:2.1 sci-libs/gsl python_targets_python2_7? 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of the elements +EAPI=0 +HOMEPAGE=http://elem.sourceforge.net/ +KEYWORDS=amd64 sparc x86 +LICENSE=GPL-2 +RDEPEND=x11-libs/xforms +SLOT=0 +SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=57b3d68ddd95cbb1bd0341aa46fc61fa diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 new file mode 100644 index 000000000000..551e541dc669 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install unpack +DEPEND=x11-libs/xforms +DESCRIPTION=periodic table of the elements +EAPI=0 +HOMEPAGE=http://elem.sourceforge.net/ +KEYWORDS=~amd64 ~sparc ~x86 +LICENSE=GPL-2 +RDEPEND=x11-libs/xforms +SLOT=0 +SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=0276c694a657f3c3fb4e82582e043545 diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.10 b/metadata/md5-cache/sci-chemistry/freeon-1.0.10 new file mode 100644 index 000000000000..b86b2255eb62 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.10 @@ -0,0 +1,12 @@ +DEFINED_PHASES=prepare setup +DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.6 dev-lang/python:3.5 dev-lang/python:3.4 >=dev-lang/python-2.7.5-r2:2.7 ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry +EAPI=6 +HOMEPAGE=http://www.freeon.org +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran +SLOT=0 +SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.10.tar.bz2 +_eclasses_=autotools 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+_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=01666c2faf39ab5b987020ca82b48d11 diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 new file mode 100644 index 000000000000..2a6ed13eb1c6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=~amd64 ~x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc248.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=7deacca9e5961729a40da9aa988be1df diff --git a/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 new file mode 100644 index 000000000000..99adaf11d228 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 virtual/pkgconfig sys-devel/gettext dev-util/intltool doc? 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( sci-chemistry/openbabel ) +SLOT=0 +SRC_URI=http://bioinformatics.org/ghemical/download/current/ghemical-3.0.0.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=25a0e5e019a4964649400a3478ccaa06 diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 b/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 new file mode 100644 index 000000000000..272e6f9d04c7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? 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( sys-devel/gettext ) virtual/pkgconfig +DESCRIPTION=Periodic table application for Linux +EAPI=5 +HOMEPAGE=http://www.frantz.fi/software/gperiodic.php +IUSE=nls linguas_be linguas_bg linguas_cs linguas_da linguas_de linguas_es linguas_fi linguas_fr linguas_gl linguas_id linguas_is linguas_it linguas_lt linguas_ms linguas_nl linguas_pl linguas_pt_BR linguas_pt linguas_ru linguas_sv linguas_tr linguas_uk +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? 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( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/2016 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2016.tar.gz ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 cuda 626969678b9c5735753d8a380c6f295b epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=5ed1ecc5849b8530b69accbe7e9ba0be diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.1 b/metadata/md5-cache/sci-chemistry/gromacs-2016.1 new file mode 100644 index 000000000000..336a89b36b8f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? 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( http://gerrit.gromacs.org/download/regressiontests-2016.1.tar.gz ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 cuda 626969678b9c5735753d8a380c6f295b epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=3495d5feff978b22807c08c0c4c8c03c diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.2 b/metadata/md5-cache/sci-chemistry/gromacs-2016.2 new file mode 100644 index 000000000000..3a7cad914490 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? 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( http://gerrit.gromacs.org/download/regressiontests-2016.2.tar.gz ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 cuda 626969678b9c5735753d8a380c6f295b epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=73270c55dd4f7113d1e8e278cf4be737 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.3 b/metadata/md5-cache/sci-chemistry/gromacs-2016.3 new file mode 100644 index 000000000000..01751b79595d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? 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( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? 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( !blas !fftw !lapack ) +SLOT=0/9999 +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 cuda 626969678b9c5735753d8a380c6f295b epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 git-r3 52a888802d25387c2c74cb845d1219bc ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=b85be5a83f00ecdf56154f19c818e6aa diff --git a/metadata/md5-cache/sci-chemistry/gsim-21.3 b/metadata/md5-cache/sci-chemistry/gsim-21.3 new file mode 100644 index 000000000000..d73ff8935e88 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gsim-21.3 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare unpack +DEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) virtual/pkgconfig +DESCRIPTION=Programm for visualisation and processing of experimental and simulated NMR spectra +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/gsim/ +IUSE=emf opengl +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) +SLOT=0 +SRC_URI=mirror://sourceforge/gsim/gsim-21.3.tar.gz +_eclasses_=base df2aa567b3f0595aae0d0923889f7631 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e qmake-utils 990448b067cb3cfe1443bc25fb57239c qt4-r2 b7985a3197fbc3a22d059f19904e735b toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=952b237476b1e3b1d25e73077cf5ea4f diff --git a/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 b/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 new file mode 100644 index 000000000000..0ee68d7877cd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=configure install prepare +DEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) virtual/pkgconfig +DESCRIPTION=Visualisation and processing of experimental and simulated NMR spectra +EAPI=6 +HOMEPAGE=https://sourceforge.net/projects/gsim/ +IUSE=cpu_flags_x86_sse3 emf opengl +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) +REQUIRED_USE=cpu_flags_x86_sse3 +SLOT=0 +SRC_URI=mirror://sourceforge/gsim/gsim-21.3.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e qmake-utils 990448b067cb3cfe1443bc25fb57239c toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=59b517da10ba489e93fb59b712f13c32 diff --git a/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 new file mode 100644 index 000000000000..d1fe54f17a6a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip +DESCRIPTION=Production of surface images of proteins +EAPI=5 +HOMEPAGE=http://hollow.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://hollow.sourceforge.net/hollow-1.2.zip +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=f30b26c5e318f9cc07d344abd4c9fde2 diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 new file mode 100644 index 000000000000..d739477762a6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst preinst prepare prerm setup +DEPEND=>=virtual/jdk-1.4 !client-only? ( >=app-admin/webapp-config-1.50.15 ) dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3 >=dev-java/ant-core-1.8.2:0 >=dev-java/javatoolkit-0.3.0-r2 +DESCRIPTION=Java molecular viever for 3-D chemical structures +EAPI=5 +HOMEPAGE=http://jmol.sourceforge.net/ +IUSE=client-only vhosts elibc_FreeBSD elibc_FreeBSD +KEYWORDS=~amd64 ~x86 +LICENSE=LGPL-2.1 +RDEPEND=>=virtual/jre-1.4 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3 +SLOT=0 +SRC_URI=mirror://sourceforge/jmol/Jmol-12.0.45-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 java-ant-2 4e2b30d918dda38a51839a4d45282b62 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 webapp a76ebd3cb5649737496e8238992dd7ca +_md5_=e5be2ed02e2c454e5aae9177da649849 diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 new file mode 100644 index 000000000000..308401a482bd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst preinst prepare prerm setup +DEPEND=>=virtual/jdk-1.5 dev-java/saxon:6.5 !client-only? ( >=app-admin/webapp-config-1.50.15 ) dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3 >=dev-java/ant-core-1.8.2:0 >=dev-java/javatoolkit-0.3.0-r2 +DESCRIPTION=Java molecular viever for 3-D chemical structures +EAPI=5 +HOMEPAGE=http://jmol.sourceforge.net/ +IUSE=+client-only vhosts elibc_FreeBSD elibc_FreeBSD +KEYWORDS=~x86 ~amd64 +LICENSE=LGPL-2.1 +RDEPEND=>=virtual/jre-1.5 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3 +SLOT=0 +SRC_URI=mirror://sourceforge/jmol/Jmol-12.2.27-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 java-ant-2 4e2b30d918dda38a51839a4d45282b62 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 webapp a76ebd3cb5649737496e8238992dd7ca +_md5_=de2dedca3cc13b31429da06c08257045 diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728 b/metadata/md5-cache/sci-chemistry/ksdssp-040728 new file mode 100644 index 000000000000..e7156214bcb0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install unpack +DEPEND=sci-libs/libpdb++ app-arch/sharutils +DESCRIPTION=ksdssp is an open source implementation of dssp +EAPI=4 +HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=sci-libs/libpdb++ +SLOT=0 +SRC_URI=mirror://gentoo/ksdssp-040728.shar +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=9341a83847fb51ec937947def46188ac diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 new file mode 100644 index 000000000000..4c3a0913745b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install unpack +DEPEND=sci-libs/libpdb++ app-arch/sharutils +DESCRIPTION=An open source implementation of sci-chemistry/dssp +EAPI=4 +HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=sci-libs/libpdb++ +SLOT=0 +SRC_URI=mirror://gentoo/ksdssp-040728.shar +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=6bb092702547ffcfeb08d0f5ac9988de diff --git a/metadata/md5-cache/sci-chemistry/mars-1.2 b/metadata/md5-cache/sci-chemistry/mars-1.2 new file mode 100644 index 000000000000..2e6353f67556 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mars-1.2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install +DESCRIPTION=Robust automatic backbone assignment of proteins +EAPI=4 +HOMEPAGE=http://www.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=all-rights-reserved +RDEPEND=sci-biology/psipred +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.mpibpc.mpg.de/groups/zweckstetter/_software_files/_mars/mars-1.2_linux.tar.gz +_md5_=e01a256527afa2d3dd3fe9840c6af7e8 diff --git a/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 b/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 new file mode 100644 index 000000000000..e52db5dded89 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=doc? ( virtual/latex-base ) sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Software suite to predict/analyze mass spectrometric data on (bio)polymers +EAPI=5 +HOMEPAGE=http://massxpert.org +IUSE=debug doc linguas_fr +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=dev-qt/qtsvg:4[debug?] +SLOT=0 +SRC_URI=http://download.tuxfamily.org/massxpert/source/massxpert-3.4.0.tar.bz2 +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=31326aa0656bc3c6502af19adba4a4eb diff --git a/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 b/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 new file mode 100644 index 000000000000..96595f603f79 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/networkx[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories +EAPI=5 +HOMEPAGE=http://www.mdanalysis.org/ +IUSE=test python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/networkx[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://mdanalysis.googlecode.com/files/MDAnalysis-0.7.7.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=9997890a6edc2e5541f8e85e72ec797f diff --git a/metadata/md5-cache/sci-chemistry/mm-align-20120321 b/metadata/md5-cache/sci-chemistry/mm-align-20120321 new file mode 100644 index 000000000000..790442771f0d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mm-align-20120321 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran +DESCRIPTION=Protein Complex Structural Alignment +EAPI=6 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/MM-align/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/MM-align-20120321.tar.xz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=49c7ebd406de721ad41571fdc9428f3f diff --git a/metadata/md5-cache/sci-chemistry/molden-4.8-r2 b/metadata/md5-cache/sci-chemistry/molden-4.8-r2 new file mode 100644 index 000000000000..bce75af08fd8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-4.8-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=4 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=amd64 x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden4.8.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=a2052fb8908814c1a8209dbb113b03f4 diff --git a/metadata/md5-cache/sci-chemistry/molden-5.0 b/metadata/md5-cache/sci-chemistry/molden-5.0 new file mode 100644 index 000000000000..7ea34a241486 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-5.0 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=4 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=~amd64 ~x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.0.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=3f72a917ea1b4679bf81847dd5857b2d diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5 new file mode 100644 index 000000000000..466e2f42041c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-5.5 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=6 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=~amd64 ~x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=774949207509932883597b3ca5c7de7d diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 new file mode 100644 index 000000000000..dcec6c9d2ce3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare +DEPEND=doc? ( virtual/latex-base ) +DESCRIPTION=Molecular dynamics simulations platform +EAPI=4 +HOMEPAGE=http://www.ccp5.ac.uk/moldy/moldy.html +IUSE=doc examples +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +SLOT=0 +SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=b14f301c0d5e50d724cd31291ed59e3f diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 new file mode 100644 index 000000000000..52c2b5282170 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Abstract, manage and coordinate execution of tasks +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/OpenChemistry/project/molequeue.html +IUSE=+client doc server test +zeromq python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) +REQUIRED_USE=python_targets_python2_7 server? ( client ) test? 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media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=7412ea85b155fe5b0ffbfa299930af76 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 new file mode 100644 index 000000000000..a29dc2c061ef --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install prepare setup +DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +DESCRIPTION=Publication-quality molecular visualization package +EAPI=5 +HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=molmol +RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 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x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=c4e43dd9e34d3bb38efb4fa48eed0dbc diff --git a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 new file mode 100644 index 000000000000..329374a96a49 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install nofetch prepare +DEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 ) +DESCRIPTION=Display molecular 3D structures, such as proteins, in both schematic and detailed representations +EAPI=5 +HOMEPAGE=http://www.avatar.se/molscript/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=glut molscript +RDEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=molscript-2.1.2.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=eb0013ea21e1b6460673297657b6c433 diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 b/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 new file mode 100644 index 000000000000..0a74ef15b5d5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 @@ -0,0 +1,13 @@ 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ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 qmake-utils 990448b067cb3cfe1443bc25fb57239c toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=39c157d9ece2da36ace1b1017ab44f6f diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 new file mode 100644 index 000000000000..1aac90bcbd2d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=A drawing tool for 2D molecular structures +EAPI=6 +HOMEPAGE=http://molsketch.sourceforge.net/ +IUSE=test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 +SLOT=0 +SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Beryllium-7%200.4.1/Molsketch-0.4.1-src.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 qmake-utils 990448b067cb3cfe1443bc25fb57239c toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=b45b296034ade945ccc335907c045895 diff --git a/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 b/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 new file mode 100644 index 000000000000..a0fff5207fde --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-libs/boost[threads] dev-libs/mongo-cxx-driver sci-libs/avogadrolibs[qt4] sci-libs/chemkit sci-libs/vtk[qt4,rendering] sci-chemistry/molequeue dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Application for managing large collections of chemical data +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-libs/boost[threads] dev-libs/mongo-cxx-driver sci-libs/avogadrolibs[qt4] sci-libs/chemkit sci-libs/vtk[qt4,rendering] sci-chemistry/molequeue +SLOT=0 +SRC_URI=https://github.com/OpenChemistry/mongochem/archive/df36ebce92024dd4fd1c70eb37eb84e4c51120ff.tar.gz -> mongochem-0.7.0.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5720d606710bb53046244dd066793da9 diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15 b/metadata/md5-cache/sci-chemistry/mopac7-1.15 new file mode 100644 index 000000000000..c0d08687328a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup +DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package +EAPI=4 +HOMEPAGE=https://sourceforge.net/projects/mopac7/ +IUSE=gmxmopac7 static-libs +KEYWORDS=amd64 ppc x86 ~amd64-linux +LICENSE=public-domain +RDEPEND=dev-libs/libf2c virtual/fortran +SLOT=0 +SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=a2867fc8118337cc1a30d2814ccbf0cb diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 new file mode 100644 index 000000000000..f63a20b193c4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/mopac7/ +IUSE=gmxmopac7 static-libs +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux +LICENSE=public-domain +RDEPEND=dev-libs/libf2c virtual/fortran +SLOT=0 +SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=67c2c03a32c90685053bf010332b49ca diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 new file mode 100644 index 000000000000..cf04165fbf6f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install postinst test unpack +DEPEND=virtual/blas virtual/lapack tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=0 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc threads tk +KEYWORDS=amd64 ppc ppc64 x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack tk? ( dev-lang/tk ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_md5_=e04225676a63996d2caf2cde0173a55f diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 new file mode 100644 index 000000000000..fba7150d0c30 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=2 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads tk +KEYWORDS=~amd64 ~ppc ~ppc64 x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=d600d59559b1768cc0e92ab56ce0cc33 diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 new file mode 100644 index 000000000000..63cc90500e44 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=4 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads static-libs tk +KEYWORDS=amd64 ppc ppc64 x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=d8ecf88f50a4d182d2b864fe6ab42629 diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 new file mode 100644 index 000000000000..85bea11a0ab5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 @@ -0,0 +1,13 @@ +DEFINED_PHASES=configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=6 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads static-libs tk +KEYWORDS=~amd64 ~ppc ~ppc64 ~x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 libtool 0081a71a261724730ec4c248494f044d multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=a765f25fee693dd1943023f3b114039b diff --git a/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 new file mode 100644 index 000000000000..88440e2ee383 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install nofetch +DESCRIPTION=MSMS allows to compute very efficiently triangulations of Solvent Excluded Surfaces +EAPI=4 +HOMEPAGE=http://mgl.scripps.edu/people/sanner/html/msms_home.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=MSMS +RESTRICT=fetch +SLOT=0 +SRC_URI=amd64? ( msms_i86_64Linux2_2.6.1.tar.gz ) x86? ( msms_i86Linux2_2.6.1.tar.gz ) +_md5_=3bed25085e21d3be0ead51b25101c70b diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.1 b/metadata/md5-cache/sci-chemistry/mustang-3.2.1 new file mode 100644 index 000000000000..9c95e1eba4f5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile install postinst prepare test +DESCRIPTION=MUltiple STructural AligNment AlGorithm +EAPI=4 +HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=BSD +SLOT=0 +SRC_URI=http://www.csse.unimelb.edu.au/~arun/mustang/mustang_v3.2.1.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=5d72090d79b79e2f40252236d5fd1a00 diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 new file mode 100644 index 000000000000..0ead182dc4d8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile install postinst prepare test +DESCRIPTION=MUltiple STructural AligNment AlGorithm +EAPI=5 +HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +SLOT=0 +SRC_URI=http://www.csse.monash.edu.au/~karun/mustang/mustang_v3.2.2.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=bb9df4c11103cf2d9afb5f1d921b6795 diff --git a/metadata/md5-cache/sci-chemistry/namd-2.10 b/metadata/md5-cache/sci-chemistry/namd-2.10 new file mode 100644 index 000000000000..8cabe1df16a7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/namd-2.10 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install nofetch postinst prepare +DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= app-shells/tcsh +DESCRIPTION=A powerful and highly parallelized molecular dynamics code +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/ +KEYWORDS=~amd64 +LICENSE=namd +RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= +RESTRICT=fetch +SLOT=0 +SRC_URI=NAMD_2.10_Source.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=1e1c9277696a47a8356482167a1c6d08 diff --git a/metadata/md5-cache/sci-chemistry/namd-2.9-r1 b/metadata/md5-cache/sci-chemistry/namd-2.9-r1 new file mode 100644 index 000000000000..2a8fb9489855 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/namd-2.9-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install nofetch postinst prepare +DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= app-shells/tcsh +DESCRIPTION=A powerful and highly parallelized molecular dynamics code +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/ +KEYWORDS=~amd64 +LICENSE=namd +RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= +RESTRICT=fetch +SLOT=0 +SRC_URI=NAMD_2.9_Source.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=0244e38e527e9f8fb4d418543c985848 diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 new file mode 100644 index 000000000000..e666c480aee7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=test? ( dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +DESCRIPTION=A module for working with NMR data in Python +EAPI=5 +HOMEPAGE=http://nmrglue.com/ +IUSE=test python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0 +SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.5/nmrglue-0.5.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=f8e983d59085ca640e37002c4bc3a902 diff --git a/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 new file mode 100644 index 000000000000..5af3bddd6420 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=new user-friendly method built for automatic dX-tensor determination +EAPI=5 +HOMEPAGE=http://www.nmr.chem.uu.nl/~christophe/numbat.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 sci-chemistry/molmol sci-chemistry/pymol sci-visualization/gnuplot +SLOT=0 +SRC_URI=http://comp-bio.anu.edu.au/private/downloads/Numbat/Numbat-0.999.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=3b685285507fad73053fa0418f660969 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 new file mode 100644 index 000000000000..8d08d97f9ad8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Interconverts file formats used in molecular modeling +EAPI=5 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=doc openmp test wxwidgets +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) +SLOT=0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=d880844fba044836488350725d6a444f diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 new file mode 100644 index 000000000000..fc4748b8a149 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Interconverts file formats used in molecular modeling +EAPI=6 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=doc openmp test wxwidgets +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) +SLOT=0/5.0.0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=b7606d14c904fb64027bd35a080fdd77 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 new file mode 100644 index 000000000000..a5e614ed7ec3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.3.2 >=dev-util/cmake-2.4.8 >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2 dev-lang/perl:=[-build(-)] +DESCRIPTION=Perl bindings for OpenBabel +EAPI=5 +HOMEPAGE=http://openbabel.sourceforge.net/ +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.3.2 dev-lang/perl:=[-build(-)] +SLOT=0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 perl-functions 01e8c68d5a528bbcda4d3c60205983df perl-module 863b35d127db98823d439f8d73c2d011 toolchain-funcs 185a06792159ca143528e7010368e8af unpacker f40f7b4bd5aa88c2a4ba7b0d1e0ded70 versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=7277e416e6b255e0787bc76fb98b199c diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 new file mode 100644 index 000000000000..1769a2ff6cd6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 >=dev-util/cmake-2.4.8 >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2 dev-lang/perl:= +DESCRIPTION=Perl bindings for OpenBabel +EAPI=6 +HOMEPAGE=http://openbabel.sourceforge.net/ +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 dev-lang/perl:= +SLOT=0/5 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 perl-functions 01e8c68d5a528bbcda4d3c60205983df perl-module 863b35d127db98823d439f8d73c2d011 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=4707b7dbaf150af89fd5d2a8c88338e8 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 b/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 new file mode 100644 index 000000000000..1904bd9bad68 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ~sci-chemistry/openbabel-2.3.2 sys-libs/zlib >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Python bindings for OpenBabel (including Pybel) +EAPI=5 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=python_targets_python2_7 python_targets_python3_4 +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ~sci-chemistry/openbabel-2.3.2 sys-libs/zlib +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 ) +SLOT=0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=3f5ab0b18673814af37849f1890bfb74 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1-r1 b/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1-r1 new file mode 100644 index 000000000000..d5edfb7371f4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ~sci-chemistry/openbabel-2.4.1 sys-libs/zlib >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Python bindings for OpenBabel (including Pybel) +EAPI=6 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ~sci-chemistry/openbabel-2.4.1 sys-libs/zlib +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0/5 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=fb2f770ca5b7001f8b342b6ca9b47ce0 diff --git a/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 new file mode 100644 index 000000000000..2c5bf8d0649f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install setup unpack +DEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran +DESCRIPTION=Thermal ellipsoid plot program for crystal structure illustrations +EAPI=4 +HOMEPAGE=http://www.ornl.gov/sci/ortep/ +KEYWORDS=~amd64 ~x86 +LICENSE=public-domain +RDEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.ornl.gov/pub/ortep/src/ortep.f +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=dba669fa4ed64bafdc79c126c520526d diff --git a/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 new file mode 100644 index 000000000000..824f78f21412 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python module for structural bioinformatics +EAPI=6 +HOMEPAGE=http://p3d.fufezan.net/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://nodeload.github.com/fu/p3d/tarball/0.4.3 -> p3d-0.4.3.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=9e3832010a5347eb6c9e4bba5441e9a5 diff --git a/metadata/md5-cache/sci-chemistry/p3d-9999 b/metadata/md5-cache/sci-chemistry/p3d-9999 new file mode 100644 index 000000000000..768a3a5480c2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/p3d-9999 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Python module for structural bioinformatics +EAPI=6 +HOMEPAGE=http://p3d.fufezan.net/ +IUSE=examples python_targets_python2_7 +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 git-r3 52a888802d25387c2c74cb845d1219bc ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=588877767f6990c41eead2c39b098d8b diff --git a/metadata/md5-cache/sci-chemistry/parassign-20130522 b/metadata/md5-cache/sci-chemistry/parassign-20130522 new file mode 100644 index 000000000000..59f0d4dfd944 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/parassign-20130522 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/cython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Assign protein nuclei solely on the basis of pseudocontact shifts (PCS) +EAPI=5 +HOMEPAGE=http://protchem.lic.leidenuniv.nl/software/parassign/registration +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=Apache-2.0 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) || ( python_targets_python2_7 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=PARAssign_Linux_x64_86.tgz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=799a8d9a4cdb92870a2de2d603db67e9 diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 new file mode 100644 index 000000000000..911d0025e4c8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran +DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files +EAPI=5 +HOMEPAGE=https://github.com/harmslab/pdbtools +IUSE=python_targets_pypy python_targets_python2_7 python_single_target_pypy python_single_target_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran +REQUIRED_USE=^^ ( python_single_target_pypy python_single_target_python2_7 ) python_single_target_pypy? ( python_targets_pypy ) python_single_target_python2_7? ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=1351edf19d2820e89574c5ff43489439 diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 new file mode 100644 index 000000000000..bfe6129b964d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran +DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files +EAPI=5 +HOMEPAGE=https://github.com/harmslab/pdbtools +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=f9f71182abfaac381b3fc033e7a068f5 diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 new file mode 100644 index 000000000000..ea642512b8c4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) dev-lang/swig:0 dev-util/scons virtual/fortran +DESCRIPTION=An automated pipeline for performing Poisson-Boltzmann electrostatics calculations +EAPI=5 +HOMEPAGE=http://www.poissonboltzmann.org/ +IUSE=doc examples opal +pdb2pka python_targets_python2_7 +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) virtual/fortran +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/releases/download/pdb2pqr-1.9.0/pdb2pqr-src-1.9.0.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d scons-utils fcace052aef60e6b0eb3023c26aa585a toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=277a039f856ae0c68d6abceb12d4badc diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3 new file mode 100644 index 000000000000..ced9a414c553 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 +DESCRIPTION=Manipulate and process PDB files using tools such as Perl, awk, etc +EAPI=6 +HOMEPAGE=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +SLOT=0 +SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=4ebe1185f44e21cb0c7d7cbb291a8b30 diff --git a/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 new file mode 100644 index 000000000000..9c683bfa0359 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install +DESCRIPTION=Convert atom names for common amino acids and nucleic acid bases from PDB format to CNS or back +EAPI=4 +HOMEPAGE=http://www.mybiosoftware.com/3d-molecular-model/314/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-lang/perl +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pdbcns.2.0.010504.perl.tgz +_md5_=f167b7636f3008d03c5b5a4fa27d414e diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89 new file mode 100644 index 000000000000..6884351c6ff1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran +DESCRIPTION=Calculate Tirion's model from pdb structures +EAPI=6 +HOMEPAGE=http://ecole.modelisation.free.fr/modes.html +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CeCILL-2 +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5de2f612591221cdc5d57106eab44a2a diff --git a/metadata/md5-cache/sci-chemistry/platon-20151001 b/metadata/md5-cache/sci-chemistry/platon-20151001 new file mode 100644 index 000000000000..321b74204810 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/platon-20151001 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install nofetch setup unpack +DEPEND=x11-libs/libX11 virtual/fortran +DESCRIPTION=Versatile, SHELX-97 compatible, multipurpose crystallographic tool +EAPI=5 +HOMEPAGE=http://www.cryst.chem.uu.nl/platon/ +IUSE=examples +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +RDEPEND=x11-libs/libX11 virtual/fortran +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cryst.chem.uu.nl/xraysoft/unix/platon.tar.gz -> platon-20151001.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=111841d4573a0dbdc77efaa5e6d9c141 diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 new file mode 100644 index 000000000000..3306ffe1ac36 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install postinst prepare +DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4 sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg virtual/opengl x11-libs/libX11 +DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more +EAPI=4 +HOMEPAGE=https://sites.google.com/site/timfenn/povscript +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=glut molscript +RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4 sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg virtual/opengl x11-libs/libX11 +SLOT=0 +SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.19.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=d87e69cd4cc5cf8349e4703b0a4e0c95 diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 new file mode 100644 index 000000000000..5554000bd763 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install postinst prepare +DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11 +DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more +EAPI=5 +HOMEPAGE=https://sites.google.com/site/timfenn/povscript +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=glut molscript +RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11 +SLOT=0 +SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.20.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=0a335f1e70d94904f0d4666c06852abf diff --git a/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 new file mode 100644 index 000000000000..9d7f5eb2656a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 ) +DESCRIPTION=Prepares molecular kinemages (input files for Mage & KiNG) from PDB-format coordinate files +EAPI=2 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/prekin.php +IUSE=X +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +RDEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 ) +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/prekin/prekin.6.51.081122.src.tgz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=74da56bfd665dc0e2e02f09683a31550 diff --git a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 new file mode 100644 index 000000000000..d0f615d31896 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DEPEND=app-arch/unzip +DESCRIPTION=Evaluates atomic packing within or between molecules +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/probe.php +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/probe/probe.2.13.110909.src.zip +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=0a6ad068c88c168f03f956d66a0dae2b diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 new file mode 100644 index 000000000000..2fbfea7de887 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install nofetch setup +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Checks the stereochemical quality of a protein structure +EAPI=6 +HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html +IUSE=doc +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=procheck +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz ) +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=712cf16ac2d7b8f289d352d7444dd58e diff --git a/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 new file mode 100644 index 000000000000..60c800e7d40a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +DESCRIPTION=Decomposition-based analysis of NMR projections +EAPI=5 +HOMEPAGE=http://www.lundberg.gu.se/nmr/software.php?program=PRODECOMP +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=mirror://gentoo/prodecomp-3.0.tar.bz2 +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=a633166bb498b3f820ae0e4896d0f606 diff --git a/metadata/md5-cache/sci-chemistry/prody-1.6 b/metadata/md5-cache/sci-chemistry/prody-1.6 new file mode 100644 index 000000000000..7e872513d9fd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/prody-1.6 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/ipython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/numpy-1.7[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyparsing[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Protein Dynamics Analysis +EAPI=5 +HOMEPAGE=http://prody.csb.pitt.edu/ https://github.com/prody/ProDy +IUSE=test python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=MIT +RDEPEND=dev-python/ipython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/numpy-1.7[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyparsing[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/prody/ProDy/archive/v1.6.tar.gz -> prody-1.6.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=ec3075eb7c34897bec8cd637a3b26c45 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 new file mode 100644 index 000000000000..aa65536b4f96 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Prediction of the pKa values of ionizable groups in proteins and protein-ligand complexes +EAPI=5 +HOMEPAGE=http://propka.ki.ku.dk/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=all-rights-reserved +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror bindist +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/propka-3.1_p140511.tar.xz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=ebb8e38b8268a314f0aedc878dc74b59 diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 new file mode 100644 index 000000000000..108a7d7d076d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/pkgconfig dev-util/byacc test? ( dev-lang/perl ) >=app-portage/elt-patches-20170422 virtual/fortran +DESCRIPTION=Suite for ab initio quantum chemistry computing various molecular properties +EAPI=4 +HOMEPAGE=http://www.psicode.org/ +IUSE=static-libs test +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/fortran +SLOT=0 +SRC_URI=mirror://sourceforge/psicode/psi-3.4.0.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 autotools-utils 5a4611dfba155b1659528663fad4cd5e epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=5edc91712c391640ba4e48fcb6944fee diff --git a/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 new file mode 100644 index 000000000000..c22bd4275dcc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=A Python-extensible molecular graphics system +EAPI=6 +HOMEPAGE=http://www.pymol.org/ +IUSE=web python_targets_python2_7 +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=PSF-2.2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz mirror://sourceforge/project/pymol/pymol/1.8/pymol-v1.8.4.0.tar.bz2 +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fdo-mime 995b19d3f30e956b4e1bc5a91fdc4ea7 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=2c0832bce75bfa0bb6f397cad9361276 diff --git a/metadata/md5-cache/sci-chemistry/pymol-1.8.6.0 b/metadata/md5-cache/sci-chemistry/pymol-1.8.6.0 new file mode 100644 index 000000000000..7c76a7e50649 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-1.8.6.0 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-libs/msgpack[cxx] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=A Python-extensible molecular graphics system +EAPI=6 +HOMEPAGE=http://www.pymol.org/ +IUSE=web python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=PSF-2.2 +RDEPEND=dev-libs/msgpack[cxx] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz mirror://sourceforge/project/pymol/pymol/1.8/pymol-v1.8.6.0.tar.bz2 +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fdo-mime 995b19d3f30e956b4e1bc5a91fdc4ea7 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=657fbebc8c3871a98238d2a848552252 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 new file mode 100644 index 000000000000..924b2944de83 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip +DESCRIPTION=Gives Pymol additional functionalities and presets to the PyMOL GUI +EAPI=5 +HOMEPAGE=http://bni-tools.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CNRI +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=mirror://sourceforge/bni-tools/bni-tools/bni-tools-0.27/bni-tools-027.zip +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=26e80f9cc26451b29a4f8ca04045008b diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 new file mode 100644 index 000000000000..ab3b139437eb --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install nofetch +DEPEND=app-arch/unzip python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Calculation of pathways of proteins from buried cavities to outside solvent +EAPI=5 +HOMEPAGE=http://loschmidt.chemi.muni.cz/caver/ +IUSE=python_targets_python2_7 elibc_FreeBSD +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CAVER +RDEPEND=>=virtual/jre-1.6 sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=Caver2_1_2_pymol_plugin.zip +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=ea9626bbd9e0bdbb979e5d6058e8c5f5 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 new file mode 100644 index 000000000000..6eb01e180d89 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=DSSP Plugin for PyMOL +EAPI=5 +HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/dssp_pymol/dssp_pymol.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD pymol +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/dssp sci-biology/stride sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-plugins-dssp-110430.py.xz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=79fddf7d3218a4a1abda0a907031f6c7 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.7 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.7 new file mode 100644 index 000000000000..116ca3615312 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.7 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Molecular dynamics in Pymol +EAPI=6 +HOMEPAGE=https://github.com/tomaszmakarewicz/Dynamics +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/tomaszmakarewicz/Dynamics/archive/v2.0.7.tar.gz -> pymol-plugins-dynamics-2.0.7.tar.gz +_eclasses_=multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=626974d8e11dfbb3f90a248241b45aee diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.1.1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.1.1 new file mode 100644 index 000000000000..455adabc3158 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.1.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Molecular dynamics in Pymol +EAPI=6 +HOMEPAGE=https://github.com/tomaszmakarewicz/Dynamics +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/tomaszmakarewicz/Dynamics/archive/v2.1.1.tar.gz -> pymol-plugins-dynamics-2.1.1.tar.gz +_eclasses_=multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=626974d8e11dfbb3f90a248241b45aee diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 new file mode 100644 index 000000000000..06202848e48f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DEPEND=app-arch/unzip +DESCRIPTION=PyMOL plugin for convinient movie creation +EAPI=5 +HOMEPAGE=http://www.weizmann.ac.il/ISPC/eMovie.html +IUSE=python_targets_python2_7 +KEYWORDS=~x86 ~amd64 ~x86-linux ~amd64-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >sci-chemistry/pymol-0.99[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.weizmann.ac.il/ISPC/eMovie_package.zip +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=990ac19bca204dd80eea16ac13567dfa diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 new file mode 100644 index 000000000000..57d72734acc8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=GUI for MSMS and displaying its results in PyMOL +EAPI=5 +HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/msms_pymol.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD pymol +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/pymol_script/msms_pymol.py -> pymol-plugins-msms-100415.py +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=b19ae1fbe95c97233447cb0fbefaded1 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 new file mode 100644 index 000000000000..0a4f55aef18a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Fast and accurate regognition of active sites +EAPI=5 +HOMEPAGE=http://www.rit.edu/cos/ezviz/ProMOL_dl.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=all-rights-reserved +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror bindist +SLOT=0 +SRC_URI=http://www.rit.edu/cos/ezviz/ProMOL.zip -> pymol-plugins-promol-3.0.2.zip +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=595dd65c0598637d32294e431ac786f1 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 new file mode 100644 index 000000000000..bdef90c472d7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Pymol ScrIpt COllection +EAPI=5 +HOMEPAGE=https://github.com/speleo3/pymol-psico/ +IUSE=minimal python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/mmtk[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !minimal? ( media-libs/qhull media-video/mplayer sci-biology/stride sci-chemistry/dssp sci-chemistry/mm-align sci-chemistry/pdbmat sci-chemistry/theseus sci-chemistry/tm-align sci-mathematics/diagrtb ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/speleo3/pymol-psico/tarball/3.1 -> pymol-plugins-psico-3.1.tar.gz +_eclasses_=distutils-r1 372bbe39047c0a2550319a3a82f3e063 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 ltprune 2770eed66a9b8ef944714cd0e968182e multibuild 72647e255187a1fadc81097b3657e5c3 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-r1 e9350ec46bb5c9f3504b4fbe8b8d8987 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils f2c8335407f0b935b0a96d4adf23ef25 +_md5_=43ad844b1f16b243dd59f0b441ca5da8 diff --git a/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 new file mode 100644 index 000000000000..bf11349d1874 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 app-text/rman x11-misc/imake x11-proto/inputproto x11-proto/xextproto virtual/fortran +DESCRIPTION=Molecular Graphics Visualisation Tool +EAPI=5 +HOMEPAGE=http://www.openrasmol.org/ +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=|| ( GPL-2 RASLIC ) +RDEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 virtual/fortran +SLOT=0 +SRC_URI=mirror://sourceforge/openrasmol/RasMol/RasMol_2.7.5/rasmol-2.7.5.2-13May11.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=e8d41fd4788910c4ae71519ba0cfe39b diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 new file mode 100644 index 000000000000..d7d562f38b81 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install postinst prepare setup +DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +DESCRIPTION=Generation high quality raster images of proteins or other molecules +EAPI=4 +HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html +IUSE=gd tiff +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=Artistic-2 +RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +SLOT=0 +SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-2.tar.gz -> Raster3D_3.0-2.tar +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=a59b1e92082f2d173671dfd85c99cf41 diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 new file mode 100644 index 000000000000..9f37378e35d3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install postinst prepare setup +DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +DESCRIPTION=Generation high quality raster images of proteins or other molecules +EAPI=5 +HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html +IUSE=gd tiff +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=Artistic-2 +RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +SLOT=0 +SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-3.tar.gz -> Raster3D_3.0-3.tar +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=342cdfa3f027929bf6f5b74156fe7c8e diff --git a/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 b/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 new file mode 100644 index 000000000000..7e81eea96c3f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile install +DEPEND=app-arch/unzip +DESCRIPTION=Adds hydrogens to a Protein Data Bank (PDB) molecule structure file +EAPI=6 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/reduce.php +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/reduce31/reduce.3.16.111118.src.zip +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=4343b0ecf27a7f35d50655af17773bee diff --git a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 new file mode 100644 index 000000000000..cc49a819031d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] media-gfx/pngcrush test? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) dev-util/scons test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Molecular dynamics by NMR data analysis +EAPI=5 +HOMEPAGE=http://www.nmr-relax.com/ +IUSE=test python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=http://download.gna.org/relax/relax-4.0.0.src.tar.bz2 +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d scons-utils fcace052aef60e6b0eb3023c26aa585a toolchain-funcs 185a06792159ca143528e7010368e8af virtualx 171580f737f5aaf18fcb456548588066 wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=a93ba0d630c6f9c5966b92003e43adad diff --git a/metadata/md5-cache/sci-chemistry/shelx-20141228 b/metadata/md5-cache/sci-chemistry/shelx-20141228 new file mode 100644 index 000000000000..5d7b51cf6f2c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/shelx-20141228 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install nofetch +DESCRIPTION=Programs for crystal structure determination from single-crystal diffraction data +EAPI=5 +HOMEPAGE=http://shelx.uni-ac.gwdg.de/SHELX/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +RESTRICT=fetch +SLOT=0 +SRC_URI=amd64? ( anode_amd64.bz2 ciftab_amd64.bz2 shelxc_amd64.bz2 shelxd_amd64.bz2 shelxe_amd64.bz2 shelxl_amd64.bz2 shelxs_amd64.bz2 shelxt_amd64.bz2 shredcif_amd64.bz2 ) x86? ( anode_x86.bz2 ciftab_x86.bz2 shelxc_x86.bz2 shelxd_x86.bz2 shelxe_x86.bz2 shelxl_x86.bz2 shelxs_x86.bz2 shelxt_x86.bz2 shredcif_x86.bz2 ) +_md5_=b66443b048e30f88389ac6ad4c1ca172 diff --git a/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 new file mode 100644 index 000000000000..c8073cc9054e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0= +DESCRIPTION=Graphical NMR assignment and integration program for large polymers +EAPI=6 +HOMEPAGE=http://www.cgl.ucsf.edu/home/sparky/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=sparky +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0= +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cgl.ucsf.edu/home/sparky/distrib-3.115/sparky-source-3.115.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=602d930dbfabc45f0336eb464eeadbdb diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 new file mode 100644 index 000000000000..b62102b3dcad --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile install prepare +DESCRIPTION=The ROC RNA Ontology Consortium consensus RNA backbone nomenclature and conformer-list development +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/suitename.php +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=f3751bdbdbce7b48ea8c66ac68009342 diff --git a/metadata/md5-cache/sci-chemistry/surf-1.0 b/metadata/md5-cache/sci-chemistry/surf-1.0 new file mode 100644 index 000000000000..e29b8690dc72 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/surf-1.0 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile install prepare +DEPEND=!www-client/surf sys-apps/ed x11-misc/makedepend +DESCRIPTION=Solvent accesible Surface calculator +EAPI=4 +HOMEPAGE=http://www.ks.uiuc.edu/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x86-macos +LICENSE=SURF +SLOT=0 +SRC_URI=http://www.ks.uiuc.edu/Research/vmd/extsrcs/surf.tar.Z -> surf-1.0.tar.Z +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=be5c1c785ddb62111f6835e512a09c89 diff --git a/metadata/md5-cache/sci-chemistry/theseus-2.0.6 b/metadata/md5-cache/sci-chemistry/theseus-2.0.6 new file mode 100644 index 000000000000..f29ad8579a58 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-2.0.6 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_2.0.6.tar.gz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=22ffce5b9a0c8872cf80116e05aed37a diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.0.0 b/metadata/md5-cache/sci-chemistry/theseus-3.0.0 new file mode 100644 index 000000000000..26f761eb8bf8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-3.0.0 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_3.0.0.tar.gz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=9015e88fbbd5b940ff5995905a47bcbf diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.3.0 b/metadata/md5-cache/sci-chemistry/theseus-3.3.0 new file mode 100644 index 000000000000..8a444b803fe1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-3.3.0 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_3.3.0.tar.gz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=9015e88fbbd5b940ff5995905a47bcbf diff --git a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 new file mode 100644 index 000000000000..bca300612797 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=3V: Voss Volume Voxelator +EAPI=6 +HOMEPAGE=http://geometry.molmovdb.org/3v/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +PDEPEND=sci-chemistry/msms-bin +SLOT=0 +SRC_URI=http://geometry.molmovdb.org/3v/3v-1.2.tgz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=5ca6079a9193f10a01a27b188fadd411 diff --git a/metadata/md5-cache/sci-chemistry/tinker-7.1.2 b/metadata/md5-cache/sci-chemistry/tinker-7.1.2 new file mode 100644 index 000000000000..6223c826bfdf --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tinker-7.1.2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install preinst prepare setup test +DEPEND=>=virtual/jdk-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 ) +DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM +EAPI=5 +HOMEPAGE=http://dasher.wustl.edu/tinker/ +IUSE=examples elibc_FreeBSD java +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=Tinker +RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-7.1.2.tar.gz +_eclasses_=epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d java-pkg-opt-2 77d2e22d0de7640f817d20e861c0ff3f java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=827bba5138af9b4f31f808e8fbc15c77 diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20140601 b/metadata/md5-cache/sci-chemistry/tm-align-20140601 new file mode 100644 index 000000000000..95f1067a6dbe --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tm-align-20140601 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran +DESCRIPTION=Quick & Accurate Structural Alignment +EAPI=5 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ +IUSE=static custom-cflags +KEYWORDS=amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20140601.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5c270361585bf3dd5d51c717eb40b587 diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914 b/metadata/md5-cache/sci-chemistry/tm-align-20150914 new file mode 100644 index 000000000000..7b277ebe5c41 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran +DESCRIPTION=Quick & Accurate Structural Alignment +EAPI=5 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ +IUSE=static custom-cflags +KEYWORDS=~amd64 ~ppc ~ppc64 ~x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 fortran-2 9e7f20c99213f0627ff7f873d4aaa25d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=34e06b97e2807695b17272363a7f9fd3 diff --git a/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 new file mode 100644 index 000000000000..640d7be72427 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] x11-proto/inputproto x11-proto/xproto +DESCRIPTION=Open-source graphical front end for computational chemistry programs +EAPI=6 +HOMEPAGE=http://viewmol.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=mirror://sourceforge/viewmol/viewmol-2.4.1.src.tgz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=b7a67c4a505a5315601ee21d52b126a5 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.2 b/metadata/md5-cache/sci-chemistry/vmd-1.9.2 new file mode 100644 index 000000000000..68ce6c0e2167 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install nofetch prepare setup +DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig +DESCRIPTION=Visual Molecular Dynamics +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=fetch +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.2-gentoo-patches.tar.xz vmd-1.9.2.src.tar.gz +_eclasses_=cuda 626969678b9c5735753d8a380c6f295b epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e prefix 7b6fb2fc216b101b5d97d171925a847c python-single-r1 317a2557b4d7319a7418225f65accf77 python-utils-r1 c9de01becf9df3f8c10aeec3dc693f5d toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=84b53a5dda5afa10bcc3dfd01191756d diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4 new file mode 100644 index 000000000000..ae090fec764f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-1.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( =sci-chemistry/votca-csgapps-1.4 ) +RDEPEND==sci-libs/votca-tools-1.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.4.tar.gz -> votca-csg-1.4.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4/votca-csg-manual-1.4.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.tar.gz -> votca-csg-tutorials-1.4.tar.gz ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=463fab16d27a068b37c9cb169ddd9742 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 new file mode 100644 index 000000000000..e7aa245501c5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-1.4.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( =sci-chemistry/votca-csgapps-1.4.1 ) +RDEPEND==sci-libs/votca-tools-1.4.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.4.1.tar.gz -> votca-csg-1.4.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4.1/votca-csg-manual-1.4.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.1.tar.gz -> votca-csg-tutorials-1.4.1.tar.gz ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=aacea0ef1d918938cc5a85bc0cb6a0fb diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-9999 b/metadata/md5-cache/sci-chemistry/votca-csg-9999 new file mode 100644 index 000000000000..5b12ad7458aa --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-9999 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +LICENSE=Apache-2.0 +PDEPEND=extras? ( =sci-chemistry/votca-csgapps-9999 ) doc? ( =app-doc/votca-csg-manual-9999 ) +RDEPEND==sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 git-r3 52a888802d25387c2c74cb845d1219bc ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=d12cf969a1530ca51314445f95ebd645 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 new file mode 100644 index 000000000000..6426b0f4a8f3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=~sci-chemistry/votca-csg-1.4 dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-1.4 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.4.tar.gz -> votca-csgapps-1.4.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=c5ea9cb22c7ea08a3e5de84db8643c58 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 new file mode 100644 index 000000000000..e8b1d0242611 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=~sci-chemistry/votca-csg-1.4.1 dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-1.4.1 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.4.1.tar.gz -> votca-csgapps-1.4.1.tar.gz +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=8bd22e15b79424c684c4f8e614b48065 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 new file mode 100644 index 000000000000..8c115648359c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=~sci-chemistry/votca-csg-9999 dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-9999 +SLOT=0 +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 git-r3 52a888802d25387c2c74cb845d1219bc ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=d0c9f768c43f1834f77e2d2bce69f3d9 diff --git a/metadata/md5-cache/sci-chemistry/votca-ctp-9999 b/metadata/md5-cache/sci-chemistry/votca-ctp-9999 new file mode 100644 index 000000000000..4c87700c6395 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-ctp-9999 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-9999[sqlite] =sci-libs/votca-moo-9999 =sci-chemistry/votca-csg-9999 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Votca charge transport module +EAPI=6 +HOMEPAGE=http://www.votca.org +LICENSE=Apache-2.0 +RDEPEND==sci-libs/votca-tools-9999[sqlite] =sci-libs/votca-moo-9999 =sci-chemistry/votca-csg-9999 +SLOT=0 +_eclasses_=cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 git-r3 52a888802d25387c2c74cb845d1219bc ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=e451679485042db756f543a1a93edc02 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 new file mode 100644 index 000000000000..c8d7c1707540 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND==sci-libs/votca-tools-1.4[sqlite] =sci-chemistry/votca-csg-1.4 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND==sci-libs/votca-tools-1.4[sqlite] =sci-chemistry/votca-csg-1.4 +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.4.tar.gz -> votca-xtp-1.4.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4/votca-xtp-manual-1.4.pdf ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=e7eeba247518e31258da81836bf62aca diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 new file mode 100644 index 000000000000..2008323a4375 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND==sci-libs/votca-tools-1.4.1[sqlite] =sci-chemistry/votca-csg-1.4.1 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND==sci-libs/votca-tools-1.4.1[sqlite] =sci-chemistry/votca-csg-1.4.1 +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.4.1.tar.gz -> votca-xtp-1.4.1.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4.1/votca-xtp-manual-1.4.1.pdf ) +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=1aaad4c2310e3d4b2a9a63021f0d9e95 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-9999 b/metadata/md5-cache/sci-chemistry/votca-xtp-9999 new file mode 100644 index 000000000000..a613dbcfbeb0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-9999 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-9999[sqlite] =sci-libs/votca-moo-9999 =sci-chemistry/votca-csg-9999 =sci-chemistry/votca-ctp-9999 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +LICENSE=Apache-2.0 +RDEPEND==sci-libs/votca-tools-9999[sqlite] =sci-libs/votca-moo-9999 =sci-chemistry/votca-csg-9999 =sci-chemistry/votca-ctp-9999 +SLOT=0 +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils f9fb12e2dbe2e0c9c17f030bae85eb02 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 git-r3 52a888802d25387c2c74cb845d1219bc ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing 6f5991c7101863d0b29df63990ad852e ninja-utils ebb2eaddc6331c4fa000b8eb8f6fe074 toolchain-funcs 185a06792159ca143528e7010368e8af versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=14a694b1ebceec2147ed55bdc2d00198 diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 new file mode 100644 index 000000000000..ec07c389e2f1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=configure install prepare +DEPEND=media-libs/glew:0= media-libs/mesa x11-libs/wxGTK:3.0[X,opengl] flash? ( media-libs/ming ) virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Chemical 3D graphics program with GAMESS input builder +EAPI=5 +HOMEPAGE=http://www.scl.ameslab.gov/MacMolPlt/ +IUSE=flash +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=media-libs/glew:0= media-libs/mesa x11-libs/wxGTK:3.0[X,opengl] flash? ( media-libs/ming ) +SLOT=0 +SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz +_eclasses_=autotools dc412f38566b91012efd58b9c203e6c3 epatch 8233751dc5105a6ae8fcd86ce2bb0247 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 227b041a120d309fdefbebb3b8c1dfa9 flag-o-matic 2274fcc1e7ef6affaff5bcd636275417 libtool 0081a71a261724730ec4c248494f044d ltprune 2770eed66a9b8ef944714cd0e968182e multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=4c8a5d6f6b512619efc226a49f13b7c6 diff --git a/metadata/md5-cache/sci-chemistry/xds-bin-20170930 b/metadata/md5-cache/sci-chemistry/xds-bin-20170930 new file mode 100644 index 000000000000..a138e455721b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xds-bin-20170930 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install postinst unpack +DESCRIPTION=Software for processing single-crystal X-ray monochromatic diffraction data +EAPI=6 +HOMEPAGE=http://xds.mpimf-heidelberg.mpg.de/ +IUSE=smp X +KEYWORDS=-* ~amd64 +LICENSE=free-noncomm +RDEPEND=X? ( sci-visualization/xds-viewer ) +SLOT=0 +SRC_URI=ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS-INTEL64_Linux_x86_64.tar.gz -> XDS-INTEL64_Linux_x86_64-20170930.tar.gz ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS_html_doc.tar.gz -> XDS_html_doc-20170930.tar.gz +_md5_=d89ca2393493d0882c4f792e5bceb2bc diff --git a/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 b/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 new file mode 100644 index 000000000000..f42be51f2da2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install unpack +DESCRIPTION=GUI for XDS that is supposed to help both novice and experienced users +EAPI=5 +HOMEPAGE=http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XdsGUI +KEYWORDS=-* ~amd64 ~amd64-linux +LICENSE=GPL-2 +RDEPEND=dev-qt/qtcore:4 dev-qt/qtgui:4 dev-util/xxdiff sci-chemistry/xds-bin sci-chemistry/xdsstat-bin sci-visualization/xds-viewer +SLOT=0 +SRC_URI=amd64? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsGUI.rhel6.64 -> xdsgui-0_p130530.64 ) x86? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsGUI.rhel6.32 -> xdsgui-0_p130530.32 ) +_md5_=93caeeb1723f27912b2303654e6c11ea diff --git a/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 b/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 new file mode 100644 index 000000000000..95612d4ebd7e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install +DESCRIPTION=Prints various statistics (that are not available from XDS itself) +EAPI=5 +HOMEPAGE=http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XDSSTAT +KEYWORDS=~amd64 ~amd64-linux +LICENSE=all-rights-reserved +RDEPEND=sci-chemistry/xds-bin +RESTRICT=mirror +SLOT=0 +SRC_URI=amd64? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsstat-linux64.bz2 ) x86? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsstat-linux32.bz2 ) +_md5_=507e7c579a71eb03960a08847ac16f6e diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 new file mode 100644 index 000000000000..7d0354f9442d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Cross conversion environment of NMR spectra +EAPI=6 +HOMEPAGE=http://fermi.pharm.hokudai.ac.jp/olivia/api/index.php/Xyza2pipe_src +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=olivia +SLOT=0 +SRC_URI=http://fermi.pharm.hokudai.ac.jp/olivia/documents/xyza2pipe.tgz -> xyza2pipe-20121001.tgz +_eclasses_=multilib 97f470f374f2e94ccab04a2fb21d811e toolchain-funcs 185a06792159ca143528e7010368e8af +_md5_=c93da6bf85d6833951ad1ba692d826ed |