diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
29 files changed, 50 insertions, 50 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 56de7ff23dfb..845dc0302c7f 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe 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 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb vcs-snapshot 19dc666868420457132a7514d4621476 +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb vcs-snapshot 19dc666868420457132a7514d4621476 _md5_=488ae7cbcc578e8701d473e8f3cc3bfe diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 index fd2cbb5db4df..ee2364f4ef74 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-1.0.0.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=e07b9d991b0ebdc5253eec932ecf80ed diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 index 5c9560efad21..29121a4cb61d 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-2.0.0.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=ee1c9d9dd59c78af672cdcd2522e7f83 diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex 6a55aa355a80..e646ab4b169b 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/ParmEd-3.4.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 index d701bc263def..d3103a8221bc 100644 --- a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 +++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/ParmEd/ParmEd/archive/refs/tags/3.4.3.tar.gz -> ParmEd-3.4.3.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=77692821f30ef48205d108cdfb1a6b77 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 index c8bfab5f8358..d25c61fc98b1 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 +++ b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 @@ -13,5 +13,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev6.tar.gz -> chemex-2021.4.0_p6.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=e88fafb6cccdbbff67212d6d8600b15b diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 index 7bd89d09ba45..ef12e20fff5a 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 @@ -1,4 +1,4 @@ -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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=7 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) 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 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=a9d58ceefb0bc663f763b817d2cd1717 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7 index a02c69ae7f06..8374a51c9b9b 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7 @@ -1,4 +1,4 @@ -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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2020.7 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=a9dec67c45cdabcd7dd00665d56788ef diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 index bcb60baf3b83..62267fc56044 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 @@ -1,4 +1,4 @@ -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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_10 python_single_target_python3_11 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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) 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 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=98427c2d71209dc2b36430f4e63099a7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.5 b/metadata/md5-cache/sci-chemistry/gromacs-2021.5 index e41074405a54..16a5a144131a 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.5 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.5 @@ -1,4 +1,4 @@ -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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_10 python_single_target_python3_11 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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2021.5 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.5.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.5.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=2b77d90efe779b2dc01a0b4a2a4fc950 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 index a3c5d0e729cb..f68c03863afd 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 @@ -1,4 +1,4 @@ -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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) >=dev-vcs/git-1.8.2.1[curl] +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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) >=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 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2021.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=37783db6fed45127d7398fa432dec03d diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.1 b/metadata/md5-cache/sci-chemistry/gromacs-2022.1 index d7e1daf4a2fe..303c820442a8 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.1 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda 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 python_single_target_python3_11 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-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.1 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022.1.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=8186c426ce892ecc9124a7b4064f12e0 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.2 b/metadata/md5-cache/sci-chemistry/gromacs-2022.2 index 51c049c824e7..0d9235a4511f 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.2 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda 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 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~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-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.2 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.2.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022.2.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=6017ac56695990e60fa079e1286c7ba4 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 index 9902927fbd69..13f9c88f9229 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) >=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 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_11 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-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=763d089738fde7ef4f9fa28e4e523094 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index 10f8eb8c10df..5d2bf17b1a1f 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) >=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 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 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 python_single_target_python3_11 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-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[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-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) 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_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda 15edbf8fd9df209322f42c06ecf59a96 distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=763d089738fde7ef4f9fa28e4e523094 diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 index ee525848ab62..5ce2cbae0f06 100644 --- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 @@ -13,5 +13,5 @@ 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 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=dbdcffa8a3d57c4db3c130a0096698ea diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 index 53050f7f2e48..94d1048cc827 100644 --- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 @@ -13,5 +13,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.7.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=34e3e44700bff65c157b4746eba8555a diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25 index a6c797ac9abc..cf5f94cf4954 100644 --- a/metadata/md5-cache/sci-chemistry/modeller-9.25 +++ b/metadata/md5-cache/sci-chemistry/modeller-9.25 @@ -13,5 +13,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe RESTRICT=mirror SLOT=0 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=b95991329a6a5e37067102edc03fc9c6 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 6babafa92e4b..899356e6ef51 100644 --- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 @@ -1,6 +1,6 @@ BDEPEND=doc? ( app-doc/doxygen ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 test? ( x11-base/xorg-server[xvfb] x11-apps/xhost ) DEFINED_PHASES=compile configure install prepare test -DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) net-libs/cppzmq:0= ) +DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) net-libs/cppzmq:0= ) DESCRIPTION=Abstract, manage and coordinate execution of tasks EAPI=7 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/ @@ -8,10 +8,10 @@ INHERIT=cmake python-r1 virtualx IUSE=+client doc server test +zeromq python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 test KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD -RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) net-libs/cppzmq:0= ) +RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_8? ( >=dev-lang/python-3.8.13:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) net-libs/cppzmq:0= ) REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) ) 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 44afbf15c35884f7c840470f1cf05d0d eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb virtualx 975d49ff3b3f451efe7a95f230532135 wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=cmake 44afbf15c35884f7c840470f1cf05d0d eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb virtualx 975d49ff3b3f451efe7a95f230532135 wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=e2f5be501f8ecc33d529ef6371edbe5d diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7 index 3ad7480f8a66..5db4c6bdc6d5 100644 --- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7 @@ -13,5 +13,5 @@ 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 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=197459a7eef5261de4cf3cb0315254ac diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 index 16a5e2617ff8..cac3696541a6 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 +++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 @@ -13,5 +13,5 @@ REQUIRED_USE=python? ( || ( python_targets_python3_8 python_targets_python3_9 py RESTRICT=!test? ( test ) SLOT=0/7.0.0 SRC_URI=https://github.com/openbabel/openbabel/archive/08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b.tar.gz -> openbabel-3.1.1_p20210225.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png http://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 44afbf15c35884f7c840470f1cf05d0d desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 perl-functions 95b2df43c5f3057b6e77bd00b4d953da python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wxwidgets c09e9b94378cadaf6ef86ec1534c0fd6 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=cmake 44afbf15c35884f7c840470f1cf05d0d desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 perl-functions 95b2df43c5f3057b6e77bd00b4d953da python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wxwidgets c09e9b94378cadaf6ef86ec1534c0fd6 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=219030e81d976d743129dc077888bef8 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999 index 907ec662da2f..e911c5a7dcca 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-9999 +++ b/metadata/md5-cache/sci-chemistry/openbabel-9999 @@ -13,5 +13,5 @@ REQUIRED_USE=python? ( || ( python_targets_python3_8 python_targets_python3_9 py RESTRICT=!test? ( test ) SLOT=0/7.0.0 SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png http://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 44afbf15c35884f7c840470f1cf05d0d desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 perl-functions 95b2df43c5f3057b6e77bd00b4d953da python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wxwidgets c09e9b94378cadaf6ef86ec1534c0fd6 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=cmake 44afbf15c35884f7c840470f1cf05d0d desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 perl-functions 95b2df43c5f3057b6e77bd00b4d953da python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wxwidgets c09e9b94378cadaf6ef86ec1534c0fd6 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=b125d73885867c3083da967d79d004a0 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.4.0 b/metadata/md5-cache/sci-chemistry/propka-3.4.0 index d419b2074ac0..056a746de921 100644 --- a/metadata/md5-cache/sci-chemistry/propka-3.4.0 +++ b/metadata/md5-cache/sci-chemistry/propka-3.4.0 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.1.2[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) >=dev-python/gpep517-6[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-62.3.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/wheel[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=test? ( dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.1.2[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) >=dev-python/gpep517-6[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-62.3.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/wheel[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 IUSE=test python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=LGPL-2.1 -RDEPEND=dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta3:3.11 ) +RDEPEND=dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.12:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.4:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.0_beta4:3.11 ) REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/jensengroup/propka/archive/refs/tags/v3.4.0.tar.gz -> propka-3.4.0.gh.tar.gz -_eclasses_=distutils-r1 64c5b9cc381383c9c1ef74fb199293ea multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb +_eclasses_=distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb _md5_=df9c2734ddc4d3199b2a42247a6a9496 diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0 index e9b88f1267a7..c855255a3c92 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0 @@ -13,5 +13,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe 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 22952d8f27cac191d75529d4c38e6bfa distutils-r1 64c5b9cc381383c9c1ef74fb199293ea eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=desktop 22952d8f27cac191d75529d4c38e6bfa distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=7bb4d93e554e41f93f1e3959c541e38c diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1 index c8b3960b7776..d9f9ccede5cf 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1 @@ -12,5 +12,5 @@ RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targe REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) 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 22952d8f27cac191d75529d4c38e6bfa distutils-r1 64c5b9cc381383c9c1ef74fb199293ea flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=desktop 22952d8f27cac191d75529d4c38e6bfa distutils-r1 a012c7f8c0a9dddadb3a4f56364c8f62 flag-o-matic a3abd6002fafb3022597be6b8d01f88b multibuild d26d81f242cb193d899a72bca423d0bd multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-r1 e2883e4f04f0503cdf7f2954e2bf5e15 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=8320b4b690e8f97a7400d54894534d09 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 index 180500d1c6b3..c007b568fccf 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 @@ -13,5 +13,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 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 15edbf8fd9df209322f42c06ecf59a96 desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=cuda 15edbf8fd9df209322f42c06ecf59a96 desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=7115cb90c54b213ea4909d2b77d0f2a1 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 index 45ad65ba4719..1131e2028f26 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 @@ -13,5 +13,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 RESTRICT=fetch SLOT=0 SRC_URI=vmd-1.9.4a57.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha57-gentoo-patches.tar.xz -_eclasses_=cuda 15edbf8fd9df209322f42c06ecf59a96 desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=cuda 15edbf8fd9df209322f42c06ecf59a96 desktop 22952d8f27cac191d75529d4c38e6bfa flag-o-matic a3abd6002fafb3022597be6b8d01f88b multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb xdg 6024fbc93167fad782e2032933654857 xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=2bbc8350e0b2d9da91e7e20f2c26fbf0 diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022 index 39294621259e..1ec5ed35d737 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022 +++ b/metadata/md5-cache/sci-chemistry/votca-2022 @@ -13,5 +13,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/votca/votca/archive/v2022.tar.gz -> votca-2022.tar.gz -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=715c58a911a5aa30ab5e914b627a036d diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999 index d358319c25c5..7d4e3f6a1d3e 100644 --- a/metadata/md5-cache/sci-chemistry/votca-9999 +++ b/metadata/md5-cache/sci-chemistry/votca-9999 @@ -12,5 +12,5 @@ RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 32313e7e2fbfba8f62a99ef923fc923c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic a3abd6002fafb3022597be6b8d01f88b git-r3 b9ac6f96d2a88edb5b351df634dc5e53 multilib 4fbbbc98f236f1b43acd99476bc3cd85 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 58ec4e54962bf45d065fb95030701514 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 667174e2df1036a5520d3b3b3fb33e98 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs e9da88162e7a3c60376e80c2c2adcdfb wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils fffb53a53cf17c9c0c998a3c0a590c7e _md5_=fa681690dc7c4904899bd6807e2ca434 |