diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
28 files changed, 89 insertions, 98 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 index 85d488853afb..81cf32d089af 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.0.tar.gz -> GromacsWrapper-0.8.0.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd wrapper 4251d4c84c25f59094fd557e0063a974 +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd wrapper 4251d4c84c25f59094fd557e0063a974 _md5_=02ab15bd0be40f1104b82e10c946a29a diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 index 2b6ea8c494be..ba92851556b7 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-1.0.0.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa _md5_=173924a2840018a8cf103252a07a1c8d diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex 0666a55274e1..f012b5a7bf50 100644 --- a/metadata/md5-cache/sci-chemistry/Manifest.gz +++ b/metadata/md5-cache/sci-chemistry/Manifest.gz diff --git a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p2 b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p2 deleted file mode 100644 index 571e16735bd6..000000000000 --- a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p2 +++ /dev/null @@ -1,16 +0,0 @@ -BDEPEND=test? ( python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_8(-)] >=dev-python/numpy-1.21.0[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.11[python_targets_python3_9(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_9(-)] >=dev-python/numpy-1.21.0[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.11[python_targets_python3_10(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_10(-)] >=dev-python/numpy-1.21.0[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( >=dev-python/pytest-4.5.0[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-4.5.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-4.5.0[python_targets_python3_10(-)] ) ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( >=dev-python/pyproject2setuppy-18[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pyproject2setuppy-18[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pyproject2setuppy-18[python_targets_python3_10(-)] ) -DEFINED_PHASES=compile configure install prepare setup test -DEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_8(-)] >=dev-python/numpy-1.21.0[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.11[python_targets_python3_9(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_9(-)] >=dev-python/numpy-1.21.0[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.11[python_targets_python3_10(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_10(-)] >=dev-python/numpy-1.21.0[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) -DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data -EAPI=8 -HOMEPAGE=https://github.com/gbouvignies/chemex -IUSE=test test python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 -KEYWORDS=~amd64 -LICENSE=BSD -RDEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_8(-)] >=dev-python/numpy-1.21.0[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.11[python_targets_python3_9(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_9(-)] >=dev-python/numpy-1.21.0[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.11[python_targets_python3_10(-)] >=dev-python/jsonschema-3.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.2[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.2[python_targets_python3_10(-)] >=dev-python/numpy-1.21.0[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) -REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) -RESTRICT=!test? ( test ) !test? ( test ) -SLOT=0 -SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev2.tar.gz -> chemex-2021.4.0_p2.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa -_md5_=1bbb8fece58aef5e8499f95b58cb94a1 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p4 b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 index 6765fec3fe8a..2400af11197b 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p4 +++ b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 @@ -11,6 +11,6 @@ RDEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.25[python_tar REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=test !test? ( test ) SLOT=0 -SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev4.tar.gz -> chemex-2021.4.0_p4.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa -_md5_=0b7e209cc57132087f5a9f6e5364096d +SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev6.tar.gz -> chemex-2021.4.0_p6.tar.gz +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa +_md5_=e88fafb6cccdbbff67212d6d8600b15b diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r2 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r2 deleted file mode 100644 index ccb634231350..000000000000 --- a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r2 +++ /dev/null @@ -1,12 +0,0 @@ -DEFINED_PHASES=configure install -DEPEND=dev-libs/boost:=[threads(+)] -DESCRIPTION=The protein secondary structure standard -EAPI=6 -HOMEPAGE=http://swift.cmbi.ru.nl/gv/dssp/ -KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux -LICENSE=Boost-1.0 -RDEPEND=dev-libs/boost:=[threads(+)] -SLOT=0 -SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz -_eclasses_=multilib 4b66d835ec72e021e359bb81eacfe988 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa -_md5_=8a176686b9260993c40964f884497ed7 diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.0.1_p20210831 b/metadata/md5-cache/sci-chemistry/dssp-4.0.1_p20210831 deleted file mode 100644 index dca8570e6a30..000000000000 --- a/metadata/md5-cache/sci-chemistry/dssp-4.0.1_p20210831 +++ /dev/null @@ -1,12 +0,0 @@ -BDEPEND=>=dev-libs/boost-1.70.0:=[bzip2,zlib,threads(+)] >=sci-libs/libcifpp-1.1.1 dev-util/ninja >=dev-util/cmake-3.20.5 -DEFINED_PHASES=compile configure install postinst prepare test -DESCRIPTION=The protein secondary structure standard -EAPI=7 -HOMEPAGE=https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp -KEYWORDS=~amd64 ~x86 -LICENSE=BSD-2 -RDEPEND=>=dev-libs/boost-1.70.0:=[bzip2,zlib,threads(+)] >=sci-libs/libcifpp-1.1.1 -SLOT=0 -SRC_URI=https://github.com/PDB-REDO/dssp/archive/728cc7c6c8d95460d8db453cf7adb25a89ba15f6.tar.gz -> dssp-4.0.1_p20210831.tar.gz -_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 -_md5_=e414eedce8c7008570f0d0c4d146f89b diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.0.3 b/metadata/md5-cache/sci-chemistry/dssp-4.0.3 index 59305f8e4c1d..8034df8a8d73 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-4.0.3 +++ b/metadata/md5-cache/sci-chemistry/dssp-4.0.3 @@ -9,4 +9,4 @@ RDEPEND=>=dev-libs/boost-1.70.0:=[zlib,threads(+)] >=sci-libs/libcifpp-2.0.0 SLOT=0 SRC_URI=https://github.com/PDB-REDO/dssp/archive/refs/tags/v4.0.3.tar.gz -> dssp-4.0.3.tar.gz _eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 -_md5_=594fd0a4f5d846e8ecb95df8b97dbde1 +_md5_=daa868294719659d6a3fd98b76089e85 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 new file mode 100644 index 000000000000..834a8876a68a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 @@ -0,0 +1,15 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 +DEFINED_PHASES=compile configure install postinst prepare pretend test +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=7 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) +RESTRICT=!test? ( test ) +SLOT=0/2019.6 +SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz ) +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=7f59eacdacbcbecf0ec7e57c1080fe99 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 index 2c97c23630da..96549cf1e29e 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud RESTRICT=!test? ( test ) SLOT=0/2020.4 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.4.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=d4a1466de7b41ca68c0af3b41d41045d diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 index 6549c35150c1..1241fe597b84 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud RESTRICT=!test? ( test ) SLOT=0/2020.6 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.6.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=5f578ac93f0a9afb10ead42feda2e6d3 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 index acabfa9fcdac..099f335d5296 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud RESTRICT=!test? ( test ) SLOT=0/2021.2 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.2.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.2.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=9e383793917498b18e2703d0f68181bb diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 index 9a2b67e7768b..d8286d03a3b2 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud RESTRICT=!test? ( test ) SLOT=0/2021.3 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.3.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.3.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.3.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=25e164273615d4917aaeea1c14427552 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.4 b/metadata/md5-cache/sci-chemistry/gromacs-2021.4 new file mode 100644 index 000000000000..af0bd24582b1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.4 @@ -0,0 +1,15 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=8 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) +RESTRICT=!test? ( test ) +SLOT=0/2021.4 +SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.4.tar.gz ) +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=f870b7fa07548e1a61d614182f39bfd7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 index f1507b64e9f2..bd1d308ca745 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 @@ -10,5 +10,5 @@ RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/bl REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2021.9999 -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=2d57435e93545cedb43919d1baa7d17f diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 index 9aff8cbcf764..ac1af370b5c5 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 @@ -1,14 +1,14 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 HOMEPAGE=http://www.gromacs.org/ -IUSE=blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 +IUSE=blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi <sci-chemistry/dssp-4 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0/2022.9999 -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 -_md5_=92482be1cf4c258dc43930e79371dbd1 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=60a2c6523423772b4e5813588723d7b7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1 b/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1 deleted file mode 100644 index 22416706478b..000000000000 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1 +++ /dev/null @@ -1,15 +0,0 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) -DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack -DESCRIPTION=The ultimate molecular dynamics simulation package -EAPI=8 -HOMEPAGE=http://www.gromacs.org/ -IUSE=blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 -KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos -LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) -REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) -RESTRICT=!test? ( test ) -SLOT=0/2022_beta1 -SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022-beta1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022-beta1.pdf -> manual-2022_beta1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022-beta1.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 -_md5_=92482be1cf4c258dc43930e79371dbd1 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 new file mode 100644 index 000000000000..63fe07f58d58 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 @@ -0,0 +1,15 @@ +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=8 +HOMEPAGE=http://www.gromacs.org/ +IUSE=blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi <sci-chemistry/dssp-4 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) +RESTRICT=!test? ( test ) +SLOT=0/2022_beta1 +SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022-beta1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022-beta1.pdf -> manual-2022_beta1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022-beta1.tar.gz ) +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=60a2c6523423772b4e5813588723d7b7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index 3b38750aa8b8..6f5a07574dbc 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -1,14 +1,14 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 HOMEPAGE=http://www.gromacs.org/ -IUSE=blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 +IUSE=blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi <sci-chemistry/dssp-4 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0/9999 -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 252d4f554e611b0af601160a9c7be049 flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 -_md5_=92482be1cf4c258dc43930e79371dbd1 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 c9646d622541c023f5159b86a14e930c toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=60a2c6523423772b4e5813588723d7b7 diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 index 6bf4594d6d94..1ea6561f7cdb 100644 --- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=test SLOT=0 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.4.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa _md5_=dbdcffa8a3d57c4db3c130a0096698ea diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25 index a324cd05738b..ae33e478fab8 100644 --- a/metadata/md5-cache/sci-chemistry/modeller-9.25 +++ b/metadata/md5-cache/sci-chemistry/modeller-9.25 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=mirror SLOT=0 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa _md5_=5d9975b49fae85d859bbbbd318436f17 diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 index 48361f69431a..91550fccb2e4 100644 --- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 @@ -12,5 +12,5 @@ REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_p RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz -_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa virtualx fa024aa649b6bd544144bf94893d402c wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa virtualx fa024aa649b6bd544144bf94893d402c wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=dd52a07ec2949eea740c8d0996a84e76 diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7 index 33614d019bf9..be1fd6f93bd9 100644 --- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.7/nmrglue-0.7.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa _md5_=197459a7eef5261de4cf3cb0315254ac diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 deleted file mode 100644 index a922aedcb009..000000000000 --- a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 +++ /dev/null @@ -1,15 +0,0 @@ -BDEPEND=>=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) dev-util/ninja >=dev-util/cmake-3.9.6 -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] ) -DESCRIPTION=Interconverts file formats used in molecular modeling -EAPI=7 -HOMEPAGE=http://openbabel.org/wiki/Main_Page -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] ) -RESTRICT=!test? ( test ) -SLOT=0/5.0.0 -SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png -_eclasses_=cmake-utils f40ef5c4fb8eda19cca8d6604bef497e desktop c0d27bf73aa08ca05b663dbd31fbef28 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 optfeature 30ce9dec2b8943338c9b015bd32bac6a strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 wxwidgets 7e8a20d3bacea0e3ecf6e96fb72180aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 -_md5_=cb30029ea1d45388cf4bdde7fb713e8e diff --git a/metadata/md5-cache/sci-chemistry/propka-3.2.0 b/metadata/md5-cache/sci-chemistry/propka-3.2.0 index 3ebeadb44c03..33513ca01cdb 100644 --- a/metadata/md5-cache/sci-chemistry/propka-3.2.0 +++ b/metadata/md5-cache/sci-chemistry/propka-3.2.0 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/p/propka/propka-3.2.0.tar.gz -_eclasses_=distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa +_eclasses_=distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa _md5_=bd048f5978b21207dd0a67d80964171d diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0 index 5bf48f787580..14ab4487118d 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=mirror SLOT=0 SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz -_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 252d4f554e611b0af601160a9c7be049 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 8041037f74e1f9d149c038c2fe2c97cf eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=c7ffea6e164d1fd0a5649c6eb3a85da0 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 index 4b788811488b..f0cc7d728892 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 @@ -12,5 +12,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 RESTRICT=fetch SLOT=0 SRC_URI=vmd-1.9.4a51.src.tar.gz https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha51-gentoo-patches.tar.xz -_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 655fe65f186504e455c2f3116808fda8 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=8b2cc7a2bd011a6f3854147562919701 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 new file mode 100644 index 000000000000..256b85dadb9a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 @@ -0,0 +1,16 @@ +BDEPEND=virtual/pkgconfig dev-lang/swig +DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup +DEPEND=python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) +DESCRIPTION=Visual Molecular Dynamics +EAPI=8 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +RDEPEND=python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=vmd-1.9.4a55.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha51-gentoo-patches.tar.xz +_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=7115cb90c54b213ea4909d2b77d0f2a1 |