diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
25 files changed, 48 insertions, 48 deletions
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex 08fb86471211..eb965fcff169 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/autodock_vina-1.1.2-r1 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 index 3c9581419ea5..56b81a4eea4a 100644 --- a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 @@ -5,10 +5,10 @@ EAPI=7 HOMEPAGE=http://vina.scripps.edu/ INHERIT=flag-o-matic toolchain-funcs IUSE=debug -KEYWORDS=amd64 x86 +KEYWORDS=amd64 ~x86 LICENSE=Apache-2.0 RDEPEND=dev-libs/boost:= SLOT=0 SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz _eclasses_=edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c -_md5_=39ebb5ee53f9b941621ec7081630d6fe +_md5_=0cfd9bab31da9263a25d0d1c5be068de diff --git a/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 index 0c27c75e48eb..48ab2a32b274 100644 --- a/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 +++ b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 @@ -3,9 +3,9 @@ DEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe DESCRIPTION=Build lists of van der Waals clashes from an input PDB file EAPI=7 HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php -KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=richardson RDEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe SLOT=0 SRC_URI=mirror://gentoo/molprobity-3.17.tgz -_md5_=b076551192b8b94402adb1a885ef8931 +_md5_=12a0a8dc9245bcd63ced6a0abcc2e286 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 index 2af6fcf6c347..a7dc2e1b1275 100644 --- a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 @@ -3,9 +3,9 @@ DESCRIPTION=Build lists of collections of interacting items EAPI=8 HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php INHERIT=toolchain-funcs -KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=268abf9ec98b541a31b65182ab2e3413 +_md5_=764c8f8a4af6dd888eea6b7aeb2ebaa0 diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 index ae4c005b0121..73cbcd0ec3d9 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 +++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 @@ -4,10 +4,10 @@ DESCRIPTION=The protein secondary structure standard EAPI=8 HOMEPAGE=https://swift.cmbi.umcn.nl/gv/dssp/ INHERIT=toolchain-funcs -KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=Boost-1.0 RDEPEND=dev-libs/boost:=[bzip2,zlib] SLOT=0 SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=cf10b20eff343f4096e58f9c688d5cfe +_md5_=59e4c5020f62cd80c28ba1ca822f59ec diff --git a/metadata/md5-cache/sci-chemistry/dssp-3.0.11 b/metadata/md5-cache/sci-chemistry/dssp-3.0.11 index 95492e6d9f87..f546b6bae990 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-3.0.11 +++ b/metadata/md5-cache/sci-chemistry/dssp-3.0.11 @@ -5,11 +5,11 @@ DESCRIPTION=The protein secondary structure standard EAPI=8 HOMEPAGE=https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/cmbi/hssp INHERIT=autotools -KEYWORDS=amd64 ~arm ~arm64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~arm ~arm64 ~x86 ~amd64-linux ~x86-linux LICENSE=Boost-1.0 RDEPEND=dev-lang/perl:= dev-libs/boost:=[bzip2,zlib] RESTRICT=test SLOT=0 SRC_URI=https://github.com/cmbi/hssp/archive/refs/tags/3.0.11.tar.gz -> dssp-3.0.11.tar.gz _eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=36876e07318b8187f02ed066e1e34d1e +_md5_=b8fa01bcfdc6923a04bf6e867113abfd diff --git a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 index 2c718719f061..0763ce5e0891 100644 --- a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 +++ b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 @@ -5,10 +5,10 @@ DESCRIPTION=Chemical structure drawing program - focused on presentation EAPI=8 HOMEPAGE=http://easychem.sourceforge.net/ INHERIT=toolchain-funcs -KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux LICENSE=GPL-2 RDEPEND=app-text/ghostscript-gpl media-gfx/pstoedit x11-libs/gtk+:2 SLOT=0 SRC_URI=mirror://sourceforge/easychem/easychem-0.6.tar.gz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=1ea10a60ef6dccb3f0be1851d5a6c92b +_md5_=f29be9f3b2f9fb3068df6879d2e9a4e5 diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 index cf1f8c147a74..bd73ac52f6d5 100644 --- a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 @@ -4,10 +4,10 @@ DESCRIPTION=periodic table of the elements EAPI=6 HOMEPAGE=http://elem.sourceforge.net/ INHERIT=toolchain-funcs -KEYWORDS=amd64 sparc x86 +KEYWORDS=amd64 sparc ~x86 LICENSE=GPL-2 RDEPEND=x11-libs/xforms SLOT=0 SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=3d04f4bb12447f29a2873239829212ee +_md5_=315c260d058767143b8487a436857419 diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 index 449405d67cfd..18b69093eeb1 100644 --- a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 +++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 @@ -6,10 +6,10 @@ EAPI=7 HOMEPAGE=https://github.com/ginggs/gelemental/ INHERIT=autotools flag-o-matic xdg IUSE=doc -KEYWORDS=amd64 x86 +KEYWORDS=amd64 ~x86 LICENSE=GPL-3 MIT RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 SLOT=0 SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.0.tar.gz -> gelemental-2.0.0.tar.gz _eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=716664ceafa23c14a74889a015499733 +_md5_=48d951b4ec5cacae79105ead9aa3534e diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 index f0951f9ba248..1d9615e29924 100644 --- a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 +++ b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 @@ -6,10 +6,10 @@ EAPI=7 HOMEPAGE=https://sourceforge.net/projects/gperiodic/ INHERIT=toolchain-funcs xdg-utils IUSE=nls -KEYWORDS=amd64 x86 +KEYWORDS=amd64 ~x86 LICENSE=GPL-2 RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] SLOT=0 SRC_URI=https://downloads.sourceforge.net/project/gperiodic/gperiodic-3.0.3.tar.gz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=b6e7f6ff9487568ca79b429e8cd88deb +_md5_=111cdad824ef96ba0ff830dbcb0f14eb diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 index ca7dfe805289..8f2c8ae16f6f 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 @@ -5,7 +5,7 @@ EAPI=7 HOMEPAGE=https://www.gromacs.org/ INHERIT=bash-completion-r1 cmake cuda readme.gentoo-r1 toolchain-funcs xdg-utils IUSE=X blas cuda +doc double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 -KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos +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-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( <sys-apps/hwloc-2:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -13,4 +13,4 @@ RESTRICT=!test? ( test ) SLOT=0/2018.8 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2018.8.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2018.8.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2018.8.tar.gz ) _eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=2e1dcb3cefdfced18f4cc52d5413ed57 +_md5_=d1024169557acd1d466f4203307714a2 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 index f2f060f2a251..a83a0bd4d614 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 @@ -5,7 +5,7 @@ EAPI=7 HOMEPAGE=https://www.gromacs.org/ INHERIT=bash-completion-r1 cmake cuda readme.gentoo-r1 toolchain-funcs xdg-utils IUSE=X blas cuda +doc double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 -KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos +KEYWORDS=amd64 arm ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -13,4 +13,4 @@ RESTRICT=!test? ( test ) SLOT=0/2019.6 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz ) _eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=5ff7b3dcd17d525ae47c83c42a19380d +_md5_=989410f43b83d0d3bb6503023ea92da7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7 index ebc6ecd73e22..96a573d16c00 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7 @@ -5,7 +5,7 @@ EAPI=8 HOMEPAGE=https://www.gromacs.org/ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils 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_10 python_single_target_python3_11 -KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos +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_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) @@ -13,4 +13,4 @@ RESTRICT=!test? ( test ) SLOT=0/2020.7 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz ) _eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 2d32e797ee29a8ffdd452f4a85860666 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=0296685921498ed1a7c1f4ced5302923 +_md5_=44d0fe02d172240b18842d996f015209 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 b/metadata/md5-cache/sci-chemistry/gromacs-2021.6 index 6b407c6b5d56..f884c4278083 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.6 @@ -5,7 +5,7 @@ EAPI=8 HOMEPAGE=https://www.gromacs.org/ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils 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_10 python_single_target_python3_11 -KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos +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_10? ( >=dev-lang/python-3.10.11:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) @@ -13,4 +13,4 @@ RESTRICT=!test? ( test ) SLOT=0/2021.6 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.6.tar.gz ) _eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 2d32e797ee29a8ffdd452f4a85860666 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=ce5183cca4639dae7a256980f02c858c +_md5_=28689b9a562371302c049ec71a6685e9 diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5 index bf9ce52e5f26..10176430db79 100644 --- a/metadata/md5-cache/sci-chemistry/molden-5.5 +++ b/metadata/md5-cache/sci-chemistry/molden-5.5 @@ -5,10 +5,10 @@ EAPI=6 HOMEPAGE=http://www.cmbi.ru.nl/molden/ INHERIT=desktop fortran-2 flag-o-matic toolchain-funcs IUSE=opengl -KEYWORDS=amd64 x86 +KEYWORDS=amd64 ~x86 LICENSE=MOLDEN RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran SLOT=0 SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz _eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 2b02655f061dfa25067b543539110259 eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib c19072c3cd7ac5cb21de013f7e9832e0 preserve-libs 21162ec96c87041004a75348d97342dd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c -_md5_=e001bc09cd538ab64d80eae49115c766 +_md5_=b28035060b3ad883626cda4eb3e3ea70 diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 index b5fb891ad859..a80462a754c2 100644 --- a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 +++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 @@ -5,9 +5,9 @@ EAPI=7 HOMEPAGE=http://www.ccp5.ac.uk/moldy/moldy.html INHERIT=toolchain-funcs IUSE=doc -KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux ~ppc-macos +KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux ~ppc-macos LICENSE=GPL-2 SLOT=0 SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=09d7af6f95b5462140a4f8f61ead5fa0 +_md5_=e9e40f56e24c1ccce0db04513b4fee54 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 index 1bce548e4b88..1d4fda06a8c6 100644 --- a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 @@ -4,10 +4,10 @@ DESCRIPTION=Publication-quality molecular visualization package EAPI=8 HOMEPAGE=http://www.csb.yale.edu/userguides/graphics/molmol/molmol_descrip.html http://pjf.net/science/molmol.html INHERIT=desktop toolchain-funcs -KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux LICENSE=molmol RDEPEND=|| ( ( media-libs/mesa[X(+)] x11-libs/libGLw ) media-libs/mesa[motif(-),X(+)] ) media-libs/libjpeg-turbo:= media-libs/libpng:= media-libs/tiff:= sys-libs/zlib virtual/glu x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo SLOT=0 SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz https://dev.gentoo.org/~soap/distfiles/molmol-patches.tbz2 https://dev.gentoo.org/~pacho/molmol/molmol_256.png _eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=dc8981084de315bd307a426462ffc43d +_md5_=fc57f883c4cfaa312919dc79d49c13b5 diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 index bbcca71668cb..bb801a24c18a 100644 --- a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 @@ -6,10 +6,10 @@ EAPI=8 HOMEPAGE=https://sourceforge.net/projects/mopac7/ INHERIT=autotools fortran-2 flag-o-matic toolchain-funcs IUSE=gmxmopac7 -KEYWORDS=amd64 ~ppc x86 ~amd64-linux +KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux LICENSE=public-domain RDEPEND=dev-libs/libf2c virtual/fortran SLOT=0 SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f _eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=b003c0476ccd7ad71ed1861aaad5be2e +_md5_=9c2c3b3180ffe6cee9380ecbf8b8f29d diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 index 028c29091162..192521e53ca7 100644 --- a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 @@ -3,9 +3,9 @@ DESCRIPTION=MUltiple STructural AligNment AlGorithm EAPI=8 HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html INHERIT=toolchain-funcs -KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD SLOT=0 SRC_URI=http://www.csse.monash.edu.au/~karun/mustang/mustang_v3.2.2.tgz _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=3468cf6dad6f5b3fd8840e0757ac9dcc +_md5_=72b39ceaad63740f4488fd6f1fd3691e 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 61dac24214cc..4aea52b7dae6 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 +++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 @@ -6,7 +6,7 @@ EAPI=8 HOMEPAGE=https://openbabel.org/ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 -KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos +KEYWORDS=amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos LICENSE=GPL-2 RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.3:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets ) @@ -14,4 +14,4 @@ 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 https://openbabel.org/OBTitle.jpg -> openbabel.jpg _eclasses_=cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 ba15b8b81f30ca448294d759a9f7902c toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=d569db4cd3e72f18afa12e1236e9fafb +_md5_=41842cb4d1179218c4eab2269054b02f diff --git a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 index d3180d7d8c02..27f047bbb0c3 100644 --- a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 +++ b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 @@ -4,9 +4,9 @@ DESCRIPTION=Evaluates atomic packing within or between molecules EAPI=7 HOMEPAGE=http://kinemage.biochem.duke.edu/software/probe.php INHERIT=toolchain-funcs -KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux ~x64-macos +KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/probe/probe.2.13.110909.src.zip _eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=1bd078b7f26db9aec6132b34c1c558ca +_md5_=20d4004785d7f5c28f6c68221735d7bc diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 index 119f352d4aea..42990d581bdb 100644 --- a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 +++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 @@ -5,11 +5,11 @@ EAPI=6 HOMEPAGE=https://www.ebi.ac.uk/thornton-srv/software/PROCHECK INHERIT=fortran-2 multilib toolchain-funcs versionator IUSE=doc -KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=procheck RDEPEND=app-shells/tcsh virtual/fortran RESTRICT=fetch SLOT=0 SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz ) _eclasses_=estack 055c42df72f76a4f45ec92b35e83cd56 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e versionator d3fb3ba33acc3bbbdc4d7970227c100d -_md5_=b86e2c5d873fef674161fd10b7135120 +_md5_=75245a4eea0845ebbcc0a7f906440430 diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 index 4d70fbca092f..366719e43e54 100644 --- a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 +++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 @@ -6,11 +6,11 @@ EAPI=7 HOMEPAGE=http://www.psicode.org/ INHERIT=autotools fortran-2 toolchain-funcs IUSE=test -KEYWORDS=amd64 x86 +KEYWORDS=amd64 ~x86 LICENSE=GPL-2 RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/fortran RESTRICT=test SLOT=0 SRC_URI=mirror://sourceforge/psicode/psi-3.4.0.tar.gz _eclasses_=autotools 6ae9a4347149b19a112caa1182d03bde fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 9d3a9a889a6fa62ae794f817c156491b multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e -_md5_=ecd9eddd7cba15554c7599004f94761a +_md5_=f447f7b9203d28469c00a526a3320c6d diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 index 97ee04b0d64a..da76367e9c9a 100644 --- a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 @@ -6,10 +6,10 @@ EAPI=8 HOMEPAGE=https://zhanggroup.org/TM-align/ INHERIT=cmake flag-o-matic fortran-2 IUSE=custom-cflags -KEYWORDS=amd64 ~ppc ppc64 x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~ppc ppc64 ~x86 ~amd64-linux ~x86-linux LICENSE=tm-align RDEPEND=virtual/fortran SLOT=0 SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz _eclasses_=cmake 7fb5980de96325cbab639f5b2187357c flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=c0efb6c6f33b081376d1b36ca966aff2 +_md5_=cfa1e63224fea8203e5337a0c285b503 diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022 index 680c3be4ecbf..4d28f377772a 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022 +++ b/metadata/md5-cache/sci-chemistry/votca-2022 @@ -6,7 +6,7 @@ EAPI=7 HOMEPAGE=https://www.votca.org/ INHERIT=bash-completion-r1 cmake python-single-r1 IUSE=+gromacs test +python_single_target_python3_10 -KEYWORDS=amd64 x86 ~amd64-linux +KEYWORDS=amd64 ~x86 ~amd64-linux LICENSE=Apache-2.0 RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.11:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 ) @@ -14,4 +14,4 @@ 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 7fb5980de96325cbab639f5b2187357c eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 16483e58fadb0d47b4528f0aa7e171f6 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 ba15b8b81f30ca448294d759a9f7902c strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e wrapper 4a1902f969e5718126434fc35f3a0d9c xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=c60ca57b3113e53bc498c75613cb485c +_md5_=90500ca97973846d4fd670f0c29932ac |