diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
19 files changed, 53 insertions, 68 deletions
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex 27fb0b14303e..0f620271ff29 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/gromacs-2016.2 b/metadata/md5-cache/sci-chemistry/gromacs-2016.2 index 335e472aa2ad..7f4c75ce02e5 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2016.2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.2 @@ -1,14 +1,14 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.9.6 +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.9.6 DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive 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 ~x86-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 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) 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 ) mkl? ( !blas !fftw !lapack ) SLOT=0/2016.2 SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.2.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2016.2.tar.gz ) _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=73270c55dd4f7113d1e8e278cf4be737 +_md5_=f7ac23698680faf20fa93d11dbe806d0 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.5 b/metadata/md5-cache/sci-chemistry/gromacs-2016.5 index 6a70d882f95a..b763fb1f6684 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2016.5 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.5 @@ -1,14 +1,14 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.9.6 +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.9.6 DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive 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 ~x86-macos +KEYWORDS=~amd64 ~arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) 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 ) mkl? ( !blas !fftw !lapack ) SLOT=0/2016.5 SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.5.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2016.5.tar.gz ) _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=73069a3501e9bd0cc41da4d01fe91c59 +_md5_=64432aba1913378ec3cb0dce1afac591 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 index dc5e3b5d307f..07bc914bcd0b 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 @@ -1,12 +1,12 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive 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 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 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) 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 ) mkl? ( !blas !fftw !lapack ) SLOT=0/2016.9999 _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e git-r3 0d4635eeb5a96cd5315597a47eba25c9 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=3495d5feff978b22807c08c0c4c8c03c +_md5_=a8ad0a6c89e69fd0d8077505e2e32b92 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.2 b/metadata/md5-cache/sci-chemistry/gromacs-2018.2 deleted file mode 100644 index 31d11ae91f4f..000000000000 --- a/metadata/md5-cache/sci-chemistry/gromacs-2018.2 +++ /dev/null @@ -1,14 +0,0 @@ -DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 -DESCRIPTION=The ultimate molecular dynamics simulation package -EAPI=6 -HOMEPAGE=http://www.gromacs.org/ -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=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) -REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) -SLOT=0/2018.2 -SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.2.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2018.2.tar.gz ) -_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=9999da568916ce3d7d045996d0fae5df diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.3 b/metadata/md5-cache/sci-chemistry/gromacs-2018.3 index 5986810267f1..1dd19991b121 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2018.3 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.3 @@ -1,14 +1,14 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DEPEND=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 ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ 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=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +KEYWORDS=~amd64 ~arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +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 ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) SLOT=0/2018.3 SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.3.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2018.3.tar.gz ) _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=9999da568916ce3d7d045996d0fae5df +_md5_=9a1a64d42c843a8cca4180d527ce532e diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 index 755048f6dc91..b9da98f6779c 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 @@ -1,12 +1,12 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DEPEND=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 ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ 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 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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +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 ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) SLOT=0/2018.9999 _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e git-r3 0d4635eeb5a96cd5315597a47eba25c9 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=9999da568916ce3d7d045996d0fae5df +_md5_=d1fb7d3cfc03ae3d59e5de331f009c7f diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 new file mode 100644 index 000000000000..105a5dc6d004 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen || ( >=dev-lang/python-2.7.5-r2:2.7 ) || ( ( >=dev-lang/python-2.7.5-r2:2.7 dev-python/sphinx[python_targets_python2_7(-),python_single_target_python2_7(+)] ) ) media-gfx/mscgen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) +SLOT=0/2019.9999 +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e git-r3 0d4635eeb5a96cd5315597a47eba25c9 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 python-any-r1 4900ae970f827a22d33d41bd8b8f9ace python-utils-r1 12114a2a9aab35b93efc037a196b3234 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b +_md5_=959ef6126738ce7bd2328aaa5b0a3569 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.1 b/metadata/md5-cache/sci-chemistry/gromacs-2019_beta1 index 0b307782cd65..452cc0bb0cc9 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2018.1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019_beta1 @@ -1,14 +1,14 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx media-gfx/mscgen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ -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=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +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 ~x86-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 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) -SLOT=0/2018.1 -SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.1.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2018.1.tar.gz ) +SLOT=0/2019_beta1 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019-beta1.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2019-beta1.tar.gz ) _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=48c913af6e554e0dce78bff52433778a +_md5_=387706ee036d1ec7c2fc76da94ef3f60 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 b/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 index 197ecf94d253..2235b0e22171 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 +++ b/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 @@ -4,11 +4,11 @@ DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ IUSE=X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive 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=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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 ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) SLOT=0/5.1.3 SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.3.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-5.1.3.tar.gz ) _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=7cdd305e135195a36cbccdcab09c4699 +_md5_=88cc3767d0445a9f65d558c8e48725e9 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 b/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 index d03b3da608a6..810c8e5aa306 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 @@ -9,4 +9,4 @@ RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/bl REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) SLOT=0/5.1.9999 _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e git-r3 0d4635eeb5a96cd5315597a47eba25c9 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=7cdd305e135195a36cbccdcab09c4699 +_md5_=88cc3767d0445a9f65d558c8e48725e9 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index 20ebc837f57a..110d88d6c047 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -1,12 +1,12 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test unpack -DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx media-gfx/mscgen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=6 HOMEPAGE=http://www.gromacs.org/ -IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive 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 +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 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 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) -REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) SLOT=0/9999 _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e git-r3 0d4635eeb5a96cd5315597a47eba25c9 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=b85be5a83f00ecdf56154f19c818e6aa +_md5_=277bb1fdeddcc2dedabec04c11f1664a diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 index 85afd42a08b8..c188cea1ce2f 100644 --- a/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 +++ b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 @@ -9,5 +9,5 @@ LICENSE=LGPL-2.1 RDEPEND=>=virtual/jre-1.4 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3 SLOT=0 SRC_URI=mirror://sourceforge/jmol/Jmol-12.0.45-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar -_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-ant-2 ea15ab9e838d1062abd6b53de2045d50 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 0ee72667014428e01a01df2345244cf3 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 webapp 6ae2395d7f341093c36057cb4f69101a +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-ant-2 ea15ab9e838d1062abd6b53de2045d50 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 5f384596a963479c012fc4aef5a89a19 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 webapp 6ae2395d7f341093c36057cb4f69101a _md5_=e5be2ed02e2c454e5aae9177da649849 diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 index 4d331378e8f9..e274e6e6d185 100644 --- a/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 +++ b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 @@ -9,5 +9,5 @@ LICENSE=LGPL-2.1 RDEPEND=>=virtual/jre-1.5 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3 SLOT=0 SRC_URI=mirror://sourceforge/jmol/Jmol-12.2.27-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar -_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-ant-2 ea15ab9e838d1062abd6b53de2045d50 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 0ee72667014428e01a01df2345244cf3 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 webapp 6ae2395d7f341093c36057cb4f69101a +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-ant-2 ea15ab9e838d1062abd6b53de2045d50 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 5f384596a963479c012fc4aef5a89a19 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 webapp 6ae2395d7f341093c36057cb4f69101a _md5_=de2dedca3cc13b31429da06c08257045 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 index 78f63e113833..1d3898793cc6 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 @@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python2_7 ) RESTRICT=fetch SLOT=0 SRC_URI=Caver2_1_2_pymol_plugin.zip -_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-utils-2 0ee72667014428e01a01df2345244cf3 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-utils-2 5f384596a963479c012fc4aef5a89a19 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 _md5_=ea9626bbd9e0bdbb979e5d6058e8c5f5 diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 index 19f6f99ed4c7..c47eeab99783 100644 --- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 +++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 @@ -10,5 +10,5 @@ RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar ! RESTRICT=mirror SLOT=0 SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz -_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e fortran-2 68fcf50e02640de6eb5698ea038d9537 java-pkg-opt-2 77d2e22d0de7640f817d20e861c0ff3f java-utils-2 0ee72667014428e01a01df2345244cf3 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e fortran-2 68fcf50e02640de6eb5698ea038d9537 java-pkg-opt-2 77d2e22d0de7640f817d20e861c0ff3f java-utils-2 5f384596a963479c012fc4aef5a89a19 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 _md5_=f5c8e4b651fff9dc3a4d051350f5c72f diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20140601 b/metadata/md5-cache/sci-chemistry/tm-align-20140601 deleted file mode 100644 index 277f1d2c3e7d..000000000000 --- a/metadata/md5-cache/sci-chemistry/tm-align-20140601 +++ /dev/null @@ -1,13 +0,0 @@ -DEFINED_PHASES=compile configure install prepare setup test -DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 virtual/fortran -DESCRIPTION=Quick & Accurate Structural Alignment -EAPI=5 -HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ -IUSE=static custom-cflags -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/TMtools20140601.tar.gz -_eclasses_=cmake-utils f0bc1c175684130a76ab6c17f575d820 desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e fortran-2 68fcf50e02640de6eb5698ea038d9537 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=64e4ccba0de1d22ed789ce34e6a78765 diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914 b/metadata/md5-cache/sci-chemistry/tm-align-20150914 index cf7429298ae6..f5f67781d5c4 100644 --- a/metadata/md5-cache/sci-chemistry/tm-align-20150914 +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914 @@ -4,10 +4,10 @@ DESCRIPTION=Quick & Accurate Structural Alignment EAPI=6 HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ IUSE=custom-cflags static -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-utils f0bc1c175684130a76ab6c17f575d820 desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e fortran-2 68fcf50e02640de6eb5698ea038d9537 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=0d96f6c5e40e3e66fd57af81a19fe028 +_md5_=b2861c00ea1789213f819316513af081 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 index 5b99de277d94..aa0c388605bb 100644 --- a/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 @@ -1,5 +1,5 @@ DEFINED_PHASES=compile configure install postinst prepare test unpack -DEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( <sci-chemistry/gromacs-2019:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 DESCRIPTION=Votca coarse-graining engine EAPI=6 HOMEPAGE=http://www.votca.org @@ -7,8 +7,8 @@ IUSE=doc examples extras +gromacs hdf5 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos LICENSE=Apache-2.0 PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.4.1 ) -RDEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +RDEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( <sci-chemistry/gromacs-2019:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* SLOT=0 SRC_URI=https://github.com/votca/csg/archive/v1.4.1.tar.gz -> votca-csg-1.4.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4.1/votca-csg-manual-1.4.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.1.tar.gz -> votca-csg-tutorials-1.4.1.tar.gz ) _eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils f0bc1c175684130a76ab6c17f575d820 desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 55aaa148741116aa54ad0d80e361818e ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multilib b2f01ad412baf81650c23fcf0975fa33 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs f164325a2cdb5b3ea39311d483988861 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils 93b2dfbb00a09161e1e7f6360c0f7f6b -_md5_=33b5f825d975286621e7d350bdc30fb1 +_md5_=0c0dfa62923015f92c620d85c93617b0 |