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authorV3n3RiX <venerix@redcorelinux.org>2021-06-20 14:45:01 +0100
committerV3n3RiX <venerix@redcorelinux.org>2021-06-20 14:45:01 +0100
commit34dea8e38f88007799629d0a56b12dec480b1d21 (patch)
tree6790873994b58030360328cf5897d934b3b03d16 /metadata/md5-cache/sci-chemistry
parent7932d472a02d4c016ff7dff4b7a5479ab9d1883d (diff)
gentoo resync : 20.06.2021
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
-rw-r--r--metadata/md5-cache/sci-chemistry/Manifest.gzbin14060 -> 13415 bytes
-rw-r--r--metadata/md5-cache/sci-chemistry/autodock-4.2.62
-rw-r--r--metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 (renamed from metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2)6
-rw-r--r--metadata/md5-cache/sci-chemistry/dssp-2.2.1-r2 (renamed from metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1)6
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2018.82
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2019.62
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.46
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.515
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.66
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.999914
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-202115
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.115
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.26
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.99996
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-999910
-rw-r--r--metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.12
-rw-r--r--metadata/md5-cache/sci-chemistry/tinker-8.2.14
17 files changed, 29 insertions, 88 deletions
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index ee155c4b265e..4b9e99aeb974 100644
--- a/metadata/md5-cache/sci-chemistry/Manifest.gz
+++ b/metadata/md5-cache/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6
index c854bcc52022..7f327aa0d69a 100644
--- a/metadata/md5-cache/sci-chemistry/autodock-4.2.6
+++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6
@@ -8,5 +8,5 @@ KEYWORDS=~amd64 ~x86
LICENSE=GPL-2
SLOT=0
SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz
-_eclasses_=autotools 9e63f92c2a5d867fea55ecb160c7d354 gnuconfig 9f91b4b0c84e734a87492d4293f03de5 libtool f143db5a74ccd9ca28c1234deffede96 multilib ebdbaed22e873a5abe6205f41349b479 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4
+_eclasses_=autotools 9e63f92c2a5d867fea55ecb160c7d354 gnuconfig 9f91b4b0c84e734a87492d4293f03de5 libtool f143db5a74ccd9ca28c1234deffede96 multilib ebdbaed22e873a5abe6205f41349b479 readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4
_md5_=d7668bb3320103bf68b0e5508795e623
diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1
index cf41b3feb2af..67904db7961c 100644
--- a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2
+++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1
@@ -1,13 +1,13 @@
DEFINED_PHASES=compile configure install prepare
-DEPEND=dev-libs/boost:=[threads]
+DEPEND=dev-libs/boost:=[threads(+)]
DESCRIPTION=Program for drug discovery, molecular docking and virtual screening
EAPI=7
HOMEPAGE=http://vina.scripps.edu/
IUSE=debug
KEYWORDS=amd64 x86
LICENSE=Apache-2.0
-RDEPEND=dev-libs/boost:=[threads]
+RDEPEND=dev-libs/boost:=[threads(+)]
SLOT=0
SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz
_eclasses_=edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974
-_md5_=707abad5ab96c24b798b03ceeb8697eb
+_md5_=bf9f0ccb6ff91d9c5e39926a82a79331
diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r2
index 089480f12c02..1496380732a9 100644
--- a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1
+++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r2
@@ -1,12 +1,12 @@
DEFINED_PHASES=configure install
-DEPEND=dev-libs/boost:=[threads]
+DEPEND=dev-libs/boost:=[threads(+)]
DESCRIPTION=The protein secondary structure standard
EAPI=6
HOMEPAGE=http://swift.cmbi.ru.nl/gv/dssp/
KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
LICENSE=Boost-1.0
-RDEPEND=dev-libs/boost:=[threads]
+RDEPEND=dev-libs/boost:=[threads(+)]
SLOT=0
SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz
_eclasses_=multilib ebdbaed22e873a5abe6205f41349b479 toolchain-funcs 24921b57d6561d87cbef4916a296ada4
-_md5_=8926af5031d675f7830e47a5da91b75a
+_md5_=8a176686b9260993c40964f884497ed7
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.8 b/metadata/md5-cache/sci-chemistry/gromacs-2018.8
index 58c1f3775682..6cf9752910f6 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2018.8
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.8
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
RESTRICT=!test? ( test )
SLOT=0/2018.8
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2018.8.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2018.8.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2018.8.tar.gz )
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
_md5_=85b7a173ee593b0b33a93efeb2a4cfaa
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6
index 4fd1d2808414..9a05ebfdc4ec 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
RESTRICT=!test? ( test )
SLOT=0/2019.6
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz )
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
_md5_=d0d6475c3249a2ef40ee9869a89b11e5
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4
index db8c2d4024d4..d63abe43f3da 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4
@@ -7,9 +7,9 @@ IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi
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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/2020.4
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 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=92e45684e141caf8affefb4b462bf57e
+_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_md5_=bcc74c928c294a71b916d27251396ebc
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.5 b/metadata/md5-cache/sci-chemistry/gromacs-2020.5
deleted file mode 100644
index 0b9bc727a214..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.5
+++ /dev/null
@@ -1,15 +0,0 @@
-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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja dev-util/cmake python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
-DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=7
-HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_single_target_python3_8 python_single_target_python3_9
-KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
-LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2020.5
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.5.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.5.tar.gz )
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=907195daca17de7ad85aa653fb49de20
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.6 b/metadata/md5-cache/sci-chemistry/gromacs-2020.6
index 981c93bd5600..8c43dcd7cb15 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.6
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.6
@@ -7,9 +7,9 @@ IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi
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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/2020.6
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.6.tar.gz )
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=907195daca17de7ad85aa653fb49de20
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2020.9999
deleted file mode 100644
index efa810a015da..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.9999
+++ /dev/null
@@ -1,14 +0,0 @@
-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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja dev-util/cmake python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) >=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=7
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-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
-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 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2020.9999
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-_md5_=907195daca17de7ad85aa653fb49de20
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021 b/metadata/md5-cache/sci-chemistry/gromacs-2021
deleted file mode 100644
index 1ad4d31da44f..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021
+++ /dev/null
@@ -1,15 +0,0 @@
-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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja dev-util/cmake python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
-DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=7
-HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9
-KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
-LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2021
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.tar.gz )
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-_md5_=a8b6897390bb52adb1416dcbbb452bd0
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.1
deleted file mode 100644
index e09c07b2fe53..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.1
+++ /dev/null
@@ -1,15 +0,0 @@
-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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja dev-util/cmake python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
-DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=7
-HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9
-KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
-LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2021.1
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.1.tar.gz )
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=12dc3f3dd4fa9e1cdb0815ab09d434cd
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.2 b/metadata/md5-cache/sci-chemistry/gromacs-2021.2
index 7b86d39a244a..19d24bd377dd 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.2
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.2
@@ -7,9 +7,9 @@ IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi
KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/2021.2
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.2.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.2.tar.gz )
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=a0ccd09111661ba4e811577b20936ed1
+_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_md5_=070db88009fa19b22250ef328934e081
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
index 7d7e1264b62f..4b5ffd9040a6 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
@@ -7,8 +7,8 @@ IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi
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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/2021.9999
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc git-r3 b8e8c92aa5fe8df7187e466138eb4e52 l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=247101d548304ec5630cb07939e886b9
+_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc git-r3 b8e8c92aa5fe8df7187e466138eb4e52 l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_md5_=cdb632896246dd97e14a59f72626d5b5
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index 9cdbe4e71e1b..071647f899b9 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-9999
@@ -1,14 +1,14 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja dev-util/cmake python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] ) >=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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja dev-util/cmake python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) >=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=7
HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc 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
+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
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 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
RESTRICT=!test? ( test )
SLOT=0/9999
-_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc git-r3 b8e8c92aa5fe8df7187e466138eb4e52 l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
-_md5_=1f26d579be47f0f2b37740d4f26605f4
+_eclasses_=bash-completion-r1 8e7c071081c68c2c398b77fe3a1d6908 cmake 518e4c9a6a38dfd7afc54b6a7c5de3da cuda c2f1b334711bbbf2130f339636dc7515 distutils-r1 c21cf58c1e3c67e0ea53c96a7b37eddd edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc git-r3 b8e8c92aa5fe8df7187e466138eb4e52 l10n 8cdd85e169b835d518bc2fd59f780d8e multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 d25ac9d5d91fe9d44fda6ec192aca11a python-utils-r1 6e84b7d3d8d0bb1ee12774f4a66909e2 readme.gentoo-r1 e51390d48521eb3d400db57d557b7530 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_md5_=cdb632896246dd97e14a59f72626d5b5
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1
index 970a72b10c6b..d7c5cc9640a5 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1
+++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1
@@ -8,5 +8,5 @@ LICENSE=GPL-2
RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 dev-lang/perl:=
SLOT=0/5
SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz
-_eclasses_=cmake-utils 12008d68ebfd61f49a377c49f83558a8 desktop c0d27bf73aa08ca05b663dbd31fbef28 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 9f813bb3c47cf2e60619a663b87c5f4e estack 055c42df72f76a4f45ec92b35e83cd56 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e ltprune 4f3f2db5ce3ccbeeacdf3f94954043aa multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f perl-functions f1ee42d38920b69fd6b6229cef80b7f4 perl-module 58b5d72d607014c48b5a1e106318d584 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cmake-utils 12008d68ebfd61f49a377c49f83558a8 desktop c0d27bf73aa08ca05b663dbd31fbef28 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 9f813bb3c47cf2e60619a663b87c5f4e estack 055c42df72f76a4f45ec92b35e83cd56 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc l10n 8cdd85e169b835d518bc2fd59f780d8e ltprune 4f3f2db5ce3ccbeeacdf3f94954043aa multilib ebdbaed22e873a5abe6205f41349b479 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f perl-functions fea344a91ebf37efadf172c6a3de5a72 perl-module fe87099fddad9ba492e2b99367e39063 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils ff2ff954e6b17929574eee4efc5152ba
_md5_=a91e9cd1c3c738647d120c74e710f8e6
diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
index 034bd48d3d58..2198da38a7e4 100644
--- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1
+++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
@@ -1,5 +1,5 @@
DEFINED_PHASES=compile install preinst prepare setup test
-DEPEND=>=virtual/jdk-1.6 virtual/pkgconfig virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 )
+DEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.6 >=virtual/jdk-1.6 virtual/pkgconfig virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 )
DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM
EAPI=6
HOMEPAGE=http://dasher.wustl.edu/tinker/
@@ -11,4 +11,4 @@ RESTRICT=mirror
SLOT=0
SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz
_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi7-ver f9ec87e93172b25ce65a85303dc06964 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 9f813bb3c47cf2e60619a663b87c5f4e estack 055c42df72f76a4f45ec92b35e83cd56 eutils 2d5b3f4b315094768576b6799e4f926e flag-o-matic bc2e7662a4a9a8643be851982a837ddc fortran-2 b4796813ccda91c9c0d3463fc90aa969 java-pkg-opt-2 77d2e22d0de7640f817d20e861c0ff3f java-utils-2 2440f41421207d084e5e3f1fb001b34e l10n 8cdd85e169b835d518bc2fd59f780d8e ltprune 4f3f2db5ce3ccbeeacdf3f94954043aa multilib ebdbaed22e873a5abe6205f41349b479 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 24921b57d6561d87cbef4916a296ada4 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4251d4c84c25f59094fd557e0063a974
-_md5_=61457eb4ec14437ac6d628ef46e9e805
+_md5_=fb598b8d929f5e0c789410edc0a98c00