gentoo resync : 14.07.2018

author: V3n3RiX <venerix@redcorelinux.org> 2018-07-14 21:18:55 +0100
committer: V3n3RiX <venerix@redcorelinux.org> 2018-07-14 21:18:55 +0100
commit: d4f376e1f7b0d1dcdeda57e248bfbb4c38fbf44a (patch)
tree: 2bc7ff142b1713d43d2abb6e1d12842511034e73 /metadata/md5-cache/sci-chemistry
parent: dfd4a588d9ed324dfac33806d2e0ff4b5783cc75 (diff)
160 files changed, 2057 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..a1b82e2485f8
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	3be1ab44131e8c0bbdaa75823008444b	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..0c25123b59b3
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	3be1ab44131e8c0bbdaa75823008444b	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..5b244a17a612
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	3be1ab44131e8c0bbdaa75823008444b	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=6474bf6d012709e361f4b195d481caef
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0
new file mode 100644
index 000000000000..609a1cf442aa
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-biology/biopython[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/mmtf-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/gsd[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/mock[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/duecredit[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-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_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_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories
+EAPI=6
+HOMEPAGE=https://www.mdanalysis.org
+IUSE=test python_targets_python2_7 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-biology/biopython[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/mmtf-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/gsd[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/mock[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/duecredit[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-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_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_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0
+SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-0.18.0.tar.gz
+_eclasses_=distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=18dcf311ec7bbdd23b9c0402adabe534
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
new file mode 100644
index 000000000000..722dd645045e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/Manifest.gz
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..e2362c4e4def
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	3be1ab44131e8c0bbdaa75823008444b	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=bd0aae20d1121c134defe3190961693a
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..2470e73aa4f4
--- /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-3.9.6 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_python3_7(-),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_python3_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_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_python3_7(-),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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	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..ac60c726011a
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..e79b245e2fb8
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..0b51c3eef44e
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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	d0e5375d47f4c809f406eb892e531513	desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	libtool	0081a71a261724730ec4c248494f044d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-any-r1	6faea633ae2f79f6d55dcfd431b79fbf	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..e82d89d42ec3
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_md5_=5cede7d56a643e731ae4d39e6f4cba3d
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211 b/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211
new file mode 100644
index 000000000000..241a2ff5105e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst postrm prepare test
+DEPEND=dev-cpp/eigen:3 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.9.6
+DESCRIPTION=Advanced molecule editor and visualizer 2
+EAPI=6
+HOMEPAGE=https://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/qtwidgets:5 >=sci-libs/avogadrolibs-1.90.0_p20180211[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue )
+RESTRICT=test
+SLOT=0
+SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/d5e1f827be7e9d1cc6755fd68a2b42b0b1d2ec32.tar.gz -> avogadro2-1.90.0_p20180211.tar.gz
+_eclasses_=cmake-utils	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=391c91cbb9b9fd9d096fa536ad81fa48
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..873cd8f69d68
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=61397fa3a1756dbcec5590340b3bf4e1
diff --git a/metadata/md5-cache/sci-chemistry/ball-1.5.0_pre20180419 b/metadata/md5-cache/sci-chemistry/ball-1.5.0_pre20180419
new file mode 100644
index 000000000000..7557ac5bbaa8
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ball-1.5.0_pre20180419
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtxml:5 media-libs/glew:0= virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) fftw? ( sci-libs/fftw:3.0=[threads?] ) gui? ( dev-qt/qtgui:5 dev-qt/qtopengl:5 dev-qt/qtprintsupport:5 dev-qt/qttest:5 dev-qt/qtwidgets:5 ) lpsolve? ( sci-mathematics/lpsolve ) mpi? ( virtual/mpi ) openbabel? ( sci-chemistry/openbabel:= ) 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_python3_7(-),python_single_target_python2_7(+)] ) svm? ( sci-libs/libsvm:= ) webengine? ( dev-qt/qtwebchannel:5 dev-qt/qtwebengine:5[widgets] ) sys-devel/bison virtual/yacc doc? ( app-doc/doxygen[dot] ) gui? ( dev-qt/linguist-tools:5 ) python? ( dev-python/sip ) sys-devel/make >=dev-util/cmake-3.9.6
+DESCRIPTION=Biochemical Algorithms Library
+EAPI=6
+HOMEPAGE=https://github.com/BALL-Project/ball
+IUSE=cuda doc +fftw +gui lpsolve mpi openbabel +python svm test threads webengine python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=LGPL-2 fftw? ( GPL-3 ) openbabel? ( GPL-3 )
+RDEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtxml:5 media-libs/glew:0= virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) fftw? ( sci-libs/fftw:3.0=[threads?] ) gui? ( dev-qt/qtgui:5 dev-qt/qtopengl:5 dev-qt/qtprintsupport:5 dev-qt/qttest:5 dev-qt/qtwidgets:5 ) lpsolve? ( sci-mathematics/lpsolve ) mpi? ( virtual/mpi ) openbabel? ( sci-chemistry/openbabel:= ) 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_python3_7(-),python_single_target_python2_7(+)] ) svm? ( sci-libs/libsvm:= ) webengine? ( dev-qt/qtwebchannel:5 dev-qt/qtwebengine:5[widgets] )
+REQUIRED_USE=python? ( python_targets_python2_7 ) threads? ( fftw ) webengine? ( gui )
+RESTRICT=test
+SLOT=0
+SRC_URI=https://github.com/BALL-Project/ball/archive/e80b5e2021a72faa36bf9e35207998d4590f2cf4.tar.gz -> ball-1.5.0_pre20180419.tar.gz
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new file mode 100644
index 000000000000..e2c460e031c5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=cairo? ( dev-python/pycairo[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[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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
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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..fdf1a20897f5
--- /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 )
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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..98fd94552152
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..8c5609b7a879
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..f06bb60580b4
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
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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..45126b0114de
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
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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..a3a6ff03c138
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
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diff --git a/metadata/md5-cache/sci-chemistry/chemex-0.6.1 b/metadata/md5-cache/sci-chemistry/chemex-0.6.1
new file mode 100644
index 000000000000..f4abe101a7d5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemex-0.6.1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=>=dev-python/matplotlib-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_python3_7(-),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_python3_7(-),python_single_target_python2_7(+)] >=sci-libs/scipy-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_python3_7(-),python_single_target_python2_7(+)] dev-python/setuptools[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_python3_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_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_python3_7(-),python_single_target_python2_7(+)]
+DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
+EAPI=6
+HOMEPAGE=https://github.com/gbouvignies/chemex
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64
+LICENSE=BSD
+RDEPEND=>=dev-python/matplotlib-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_python3_7(-),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_python3_7(-),python_single_target_python2_7(+)] >=sci-libs/scipy-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_python3_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_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_python3_7(-),python_single_target_python2_7(+)]
+REQUIRED_USE=python_targets_python2_7
+SLOT=0
+SRC_URI=https://github.com/gbouvignies/chemex/archive/0.6.1.tar.gz -> chemex-0.6.1.tar.gz
+_eclasses_=distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=03312f8f2369be320c6294d4180a3c42
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..aae3f41beacb
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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	d0e5375d47f4c809f406eb892e531513	autotools-utils	5a4611dfba155b1659528663fad4cd5e	desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	fdo-mime	995b19d3f30e956b4e1bc5a91fdc4ea7	libtool	0081a71a261724730ec4c248494f044d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
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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..4411f55ffb4b
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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
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diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13
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index 000000000000..5c210a3012a6
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
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+DESCRIPTION=A GTK program for drawing organic molecules
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+IUSE=emf gnome nls
+KEYWORDS=~amd64 ~ppc ~x86
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index 000000000000..0bc226fa0e11
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+DESCRIPTION=Build lists of van der Waals clashes from an input PDB file
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index 000000000000..da3bf68bb4f7
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+++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231
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+DESCRIPTION=Build lists of collections of interacting items
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+HOMEPAGE=http://cns.csb.yale.edu/
+IUSE=aria openmp
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+DEPEND=app-shells/tcsh virtual/fortran
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index 000000000000..23fef9752ef5
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+DESCRIPTION=Crystallographic Object-Oriented Toolkit
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+DESCRIPTION=A crystallographic real-space electron-density refinement & optimization program
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+REQUIRED_USE=|| ( python_targets_python2_7 )
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+SRC_URI=mirror://sourceforge/jmol/Jmol-12.0.45-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar
+_eclasses_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	java-ant-2	ea15ab9e838d1062abd6b53de2045d50	java-pkg-2	c4e6af2574fd1dc79b43a6e27af4b5fb	java-utils-2	0ee72667014428e01a01df2345244cf3	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72	webapp	6ae2395d7f341093c36057cb4f69101a
+_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..b95b48544690
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	java-ant-2	ea15ab9e838d1062abd6b53de2045d50	java-pkg-2	c4e6af2574fd1dc79b43a6e27af4b5fb	java-utils-2	0ee72667014428e01a01df2345244cf3	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72	webapp	6ae2395d7f341093c36057cb4f69101a
+_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..3e7d7b3b2677
--- /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	1e35303c63cd707f6c3422b4493d5607
+_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..590db9438c6b
--- /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	1e35303c63cd707f6c3422b4493d5607
+_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/mdtraj-1.9.1 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1
new file mode 100644
index 000000000000..8e9c4784d626
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-python/setuptools[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pandas[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pytables[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-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_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_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code
+EAPI=6
+HOMEPAGE=http://mdtraj.org
+IUSE=test python_targets_python2_7 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=dev-python/setuptools[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pandas[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pytables[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-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_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_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0
+SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.1.tar.gz
+_eclasses_=distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=bf8b1c2b5ce3aaa4234b24e222534dbb
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..2d1cb83d5f28
--- /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-3.9.6 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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=49c7ebd406de721ad41571fdc9428f3f
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.20 b/metadata/md5-cache/sci-chemistry/modeller-9.20
new file mode 100644
index 000000000000..e63453cb685e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.20
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile config configure install postinst postrm prepare setup test
+DEPEND=>=dev-lang/swig-1.3 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=Homology or comparative modeling of protein three-dimensional structures
+EAPI=6
+HOMEPAGE=https://salilab.org/modeller/
+IUSE=doc examples python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=modeller
+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
+SLOT=0
+SRC_URI=https://salilab.org/modeller/9.20/modeller-9.20.tar.gz
+_eclasses_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
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new file mode 100644
index 000000000000..5dca0463e8c4
--- /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
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new file mode 100644
index 000000000000..13e686ea0e4d
--- /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
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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..d34eca3759a5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molden-5.5
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+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
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index 000000000000..98131d340a72
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2
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+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
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+SLOT=0
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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..9d9a96c8787f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0
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+DESCRIPTION=Publication-quality molecular visualization package
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+DESCRIPTION=Publication-quality molecular visualization package
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+DESCRIPTION=A drawing tool for 2D molecular structures
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+_eclasses_=autotools	d0e5375d47f4c809f406eb892e531513	desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	libtool	0081a71a261724730ec4c248494f044d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..2ebd7411d009
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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	d0e5375d47f4c809f406eb892e531513	desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	libtool	0081a71a261724730ec4c248494f044d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
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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..a0a8c45b3ca6
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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	d0e5375d47f4c809f406eb892e531513	libtool	0081a71a261724730ec4c248494f044d	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607
+_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..a1445c85c406
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1
@@ -0,0 +1,10 @@
+DEFINED_PHASES=install nofetch
+DESCRIPTION=MSMS very efficiently computes 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_=c43ab98fd504ae15a5c6f4c778ac6daf
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..db3d673cc384
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..320d47cf9889
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..6ddbd373f662
--- /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= virtual/pkgconfig app-shells/tcsh
+DESCRIPTION=A powerful and highly parallelized molecular dynamics code
+EAPI=6
+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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=a782a5a4f21805f813405ebf3c495b92
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..8dbb0c052719
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	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..3681241381e4
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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	d0e5375d47f4c809f406eb892e531513	autotools-utils	5a4611dfba155b1659528663fad4cd5e	desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	libtool	0081a71a261724730ec4c248494f044d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..57f4d722bc0b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1
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+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-3.9.6
+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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wxwidgets	04e063b0eff26daaea83d859dd9d6e05	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
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index 000000000000..fea872b1ffb1
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+++ b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1
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+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-3.9.6
+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
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index 000000000000..f40a918d0888
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+++ 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-3.9.6 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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	perl-functions	01e8c68d5a528bbcda4d3c60205983df	perl-module	863b35d127db98823d439f8d73c2d011	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	unpacker	87633b2194cdb56adaa1f5a5c8862c44	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
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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..38c350ee5563
--- /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-3.9.6 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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	perl-functions	01e8c68d5a528bbcda4d3c60205983df	perl-module	863b35d127db98823d439f8d73c2d011	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
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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..c142c7dc40ae
--- /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-3.9.6
+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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_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..96d0c28bed18
--- /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-3.9.6
+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	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_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..394f6f8daccb
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..edbe68f0f78e
--- /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	63fea93ca1cc4fdc5fa2247afc4e3a15	estack	43ddf5aaffa7a8d0482df54d25a66a1f	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-snapshot	3be1ab44131e8c0bbdaa75823008444b	versionator	26ca8a8bd95d6a74122c08ba98a4ee72	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..7bd15999091a
--- /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[curl]
+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	63fea93ca1cc4fdc5fa2247afc4e3a15	estack	43ddf5aaffa7a8d0482df54d25a66a1f	git-r3	8f6de46b0aa318aea0e8cac62ece098b	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	versionator	26ca8a8bd95d6a74122c08ba98a4ee72	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..53b70e89dc97
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	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..5dd7b8971b87
--- /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_python3_7(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran
+DESCRIPTION=Tools for manipulating and 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_python3_7(-),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 )
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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
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index 000000000000..9571da719253
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new file mode 100644
index 000000000000..e5607805655a
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+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(-)]
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+DESCRIPTION=pKa-value prediction of ionizable groups in protein 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(-)]
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index 000000000000..27a8d4c880f0
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+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
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+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(-)]
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index 000000000000..a21d43f64ff4
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+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(-)]
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+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
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+IUSE=web python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
+LICENSE=PSF-2.2
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+SLOT=0
+SRC_URI=mirror://sourceforge/bni-tools/bni-tools/bni-tools-0.27/bni-tools-027.zip
+_eclasses_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..2b71eed3b23b
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	java-utils-2	0ee72667014428e01a01df2345244cf3	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..ea86eae90fcd
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..276b1570338a
--- /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	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607
+_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..f5261f1ee2f1
--- /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	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607
+_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..a01d30535d2d
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..fdf4ff4a7907
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..4b4defe74ae1
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..0a1f5889d992
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	distutils-r1	63fea93ca1cc4fdc5fa2247afc4e3a15	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	ltprune	607e058da37aa6dabfa408b7d61da72e	multibuild	35719a9cd25ec71ee49c966f6868454c	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	0b5829eb6369d7af3a834b6eed7b7107	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	3be1ab44131e8c0bbdaa75823008444b	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..5f3e456a62f1
--- /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-base/xorg-proto x11-misc/imake 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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	e51c7882b7b721e54e684f7eb143cbfe	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=8a7375a0ce23cc08c7876397d54ee0c9
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..4373869a0bfd
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	e51c7882b7b721e54e684f7eb143cbfe	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..9c6c29569870
--- /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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	e51c7882b7b721e54e684f7eb143cbfe	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	26ca8a8bd95d6a74122c08ba98a4ee72
+_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..96a8d5cbcea7
--- /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	1e35303c63cd707f6c3422b4493d5607
+_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..0fd400375569
--- /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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) dev-util/scons[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_python3_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_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_python3_7(-),python_single_target_python2_7(+)] 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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	scons-utils	abbc7625ff457854eae0edaa1fd55cc7	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	virtualx	3a3c4637ea6d5a2113707a644766337c	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..b71ccc3b10ab
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/shelx-20141228
@@ -0,0 +1,10 @@
+DEFINED_PHASES=install nofetch
+DESCRIPTION=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_=b169253fd8af7308865dff74b5225d8f
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..88b77f2aa9f6
--- /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_python3_7(-),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_python3_7(-),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_=desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	e51c7882b7b721e54e684f7eb143cbfe	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	26fdbe5e685d53f67303a3a43d9e4848	python-utils-r1	7db901256449fef43c3aaa4d486c1c63	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_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..d35f78662f82
--- /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 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	1e35303c63cd707f6c3422b4493d5607
+_md5_=23e3046482e340a86f5452a8901c8c44
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..08b6218f19c3
--- /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
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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..62d2129eeb46
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/theseus-2.0.6
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+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 )
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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..5ff968972ed0
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/theseus-3.0.0
@@ -0,0 +1,13 @@
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+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	1e35303c63cd707f6c3422b4493d5607
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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..8159bef5fd46
--- /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	1e35303c63cd707f6c3422b4493d5607
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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..dd8950893211
--- /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
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new file mode 100644
index 000000000000..91cc904b6f39
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
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+IUSE=examples elibc_FreeBSD java
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+LICENSE=Tinker
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new file mode 100644
index 000000000000..1494115f05ee
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tm-align-20140601
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+EAPI=5
+HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/
+IUSE=static custom-cflags
+KEYWORDS=amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux
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new file mode 100644
index 000000000000..47cf8bb5ab3c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914
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+LICENSE=tm-align
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new file mode 100644
index 000000000000..996351df3ae8
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3
@@ -0,0 +1,14 @@
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+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_python3_7(-),python_single_target_python2_7(+)] x11-base/xorg-proto
+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_python3_7(-),python_single_target_python2_7(+)]
+REQUIRED_USE=python_targets_python2_7
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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..72d0baec741f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.2
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+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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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
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diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3
new file mode 100644
index 000000000000..fe44f94120dd
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.3
@@ -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_python3_7(-),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_python3_7(-),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_python3_7(-),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_python3_7(-),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
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new file mode 100644
index 000000000000..13d8048ba4e5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4
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+KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos
+LICENSE=Apache-2.0
+PDEPEND=extras? ( =sci-chemistry/votca-csgapps-1.4 )
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index 000000000000..57b9e3df4a27
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1
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+DESCRIPTION=Votca coarse-graining engine
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+PDEPEND=extras? ( =sci-chemistry/votca-csgapps-1.4.1 )
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+RDEPEND=~sci-chemistry/votca-csg-1.4.1
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+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
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index 000000000000..125738ae4bf0
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+DESCRIPTION=Votca excitation and charge properties module
+EAPI=6
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+LICENSE=Apache-2.0
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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..fa68e171838f
--- /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-3.9.6 >=dev-vcs/git-1.8.2.1[curl]
+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	6af26c1ffe65d92d3f525cb715f6250c	cmake-utils	57384a259cf0c7985ce651b2c0865405	desktop	1b286a7e7143d8c4ec89cd0d2743a097	eapi7-ver	d97a56a62c7df8614afddcb25f5ff00f	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	git-r3	8f6de46b0aa318aea0e8cac62ece098b	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	d2e7e7d290428bb25c56dcf2502badc1	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_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..32a5d35305c0
--- /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-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=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	d0e5375d47f4c809f406eb892e531513	desktop	1b286a7e7143d8c4ec89cd0d2743a097	epatch	9a5f039771f143195164a15a4faa41a1	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	5b8ce72259e08104b337fe28c6de5dbc	flag-o-matic	5128c4729303400bd8d4b0b966530955	libtool	0081a71a261724730ec4c248494f044d	ltprune	607e058da37aa6dabfa408b7d61da72e	multilib	97f470f374f2e94ccab04a2fb21d811e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1e35303c63cd707f6c3422b4493d5607	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	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/xdsstat-bin-171217 b/metadata/md5-cache/sci-chemistry/xdsstat-bin-171217
new file mode 100644
index 000000000000..f6b8b3de4b32
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/xdsstat-bin-171217
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install
+DESCRIPTION=Prints various statistics (that are not available from XDS itself)
+EAPI=6
+HOMEPAGE=https://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_=1b229b22f12e5f9df7c5ff359ff4fbe4
diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001
new file mode 100644
index 000000000000..887c5289af6d
--- /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	1e35303c63cd707f6c3422b4493d5607
+_md5_=c93da6bf85d6833951ad1ba692d826ed
author	V3n3RiX <venerix@redcorelinux.org>	2018-07-14 21:18:55 +0100
committer	V3n3RiX <venerix@redcorelinux.org>	2018-07-14 21:18:55 +0100
commit	d4f376e1f7b0d1dcdeda57e248bfbb4c38fbf44a (patch)
tree	2bc7ff142b1713d43d2abb6e1d12842511034e73 /metadata/md5-cache/sci-chemistry
parent	dfd4a588d9ed324dfac33806d2e0ff4b5783cc75 (diff)