From f3b59a4d34d28f51cc97e3cd2eb23686d61c2002 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Tue, 14 Feb 2023 13:57:43 +0000 Subject: gentoo auto-resync : 14:02:2023 - 13:57:43 --- metadata/md5-cache/sci-chemistry/Manifest.gz | Bin 13377 -> 13543 bytes metadata/md5-cache/sci-chemistry/gromacs-2022.5 | 16 ++++++++++++++++ metadata/md5-cache/sci-chemistry/gromacs-2023 | 16 ++++++++++++++++ metadata/md5-cache/sci-chemistry/gromacs-2023_rc1 | 16 ---------------- 4 files changed, 32 insertions(+), 16 deletions(-) create mode 100644 metadata/md5-cache/sci-chemistry/gromacs-2022.5 create mode 100644 metadata/md5-cache/sci-chemistry/gromacs-2023 delete mode 100644 metadata/md5-cache/sci-chemistry/gromacs-2023_rc1 (limited to 'metadata/md5-cache/sci-chemistry') diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz index 522ea7375624..b6bc35c9a666 100644 Binary files a/metadata/md5-cache/sci-chemistry/Manifest.gz and b/metadata/md5-cache/sci-chemistry/Manifest.gz differ diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.5 b/metadata/md5-cache/sci-chemistry/gromacs-2022.5 new file mode 100644 index 000000000000..45bf4a569636 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.5 @@ -0,0 +1,16 @@ +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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen 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 +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +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=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_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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) =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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen 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 +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +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=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_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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) +REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) +RESTRICT=!test? ( test ) +SLOT=0/2023 +SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.tar.gz ) +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 449b4785acace35308fe747fc939bde1 cuda bbef1902e3953ff9f3a9947ebf4e56f9 distutils-r1 a9f2e2ae24bd496873c092a94cae1539 flag-o-matic 69394e25812406faa1f90edaf4969395 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs 9a610728b9bcca1919234cceb35a1027 xdg-utils ac0e315a3688929e34ac75b139e7349a +_md5_=97afc417b705ac736ddde182ea746ea2 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1 b/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1 deleted file mode 100644 index 835f194bc10a..000000000000 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1 +++ /dev/null @@ -1,16 +0,0 @@ -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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen 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 -DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack -DESCRIPTION=The ultimate molecular dynamics simulation package -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=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_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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) -REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) -RESTRICT=!test? ( test ) -SLOT=0/2023_rc1 -SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023-rc1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023-rc1.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023-rc1.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 449b4785acace35308fe747fc939bde1 cuda bbef1902e3953ff9f3a9947ebf4e56f9 distutils-r1 a9f2e2ae24bd496873c092a94cae1539 flag-o-matic 69394e25812406faa1f90edaf4969395 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs 9a610728b9bcca1919234cceb35a1027 xdg-utils ac0e315a3688929e34ac75b139e7349a -_md5_=97afc417b705ac736ddde182ea746ea2 -- cgit v1.2.3