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authorChristoph Junghans <ottxor@gentoo.org>2014-07-07 17:53:18 +0000
committerChristoph Junghans <ottxor@gentoo.org>2014-07-07 17:53:18 +0000
commitc7e911c5b4f1b3df2cbde055605dc3888817d291 (patch)
tree1c35a6114098166582c8690bf9075e095373dc52
parentversion bump (diff)
downloadhistorical-c7e911c5b4f1b3df2cbde055605dc3888817d291.tar.gz
historical-c7e911c5b4f1b3df2cbde055605dc3888817d291.tar.bz2
historical-c7e911c5b4f1b3df2cbde055605dc3888817d291.zip
remove old
Package-Manager: portage-2.2.8-r1/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
-rw-r--r--sci-chemistry/gromacs/ChangeLog5
-rw-r--r--sci-chemistry/gromacs/Manifest20
-rw-r--r--sci-chemistry/gromacs/gromacs-4.6.2.ebuild283
3 files changed, 12 insertions, 296 deletions
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
index af1eb015a6c8..2c497fbb7eb0 100644
--- a/sci-chemistry/gromacs/ChangeLog
+++ b/sci-chemistry/gromacs/ChangeLog
@@ -1,6 +1,9 @@
# ChangeLog for sci-chemistry/gromacs
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.141 2014/07/07 17:51:39 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.142 2014/07/07 17:53:12 ottxor Exp $
+
+ 07 Jul 2014; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.6.2.ebuild:
+ remove old
*gromacs-4.6.6 (07 Jul 2014)
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index a8c266082552..486d265d5fc2 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,31 +1,27 @@
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
-DIST gromacs-4.6.2.tar.gz 10986082 SHA256 7bcccd15f02e7163455e1f342fc13e609e9088735b962d96afe0a79aaad92d4c SHA512 fe5991f66a638edd5af42c226302ccac4968b722df92eaeb8f65536fd5c7eb64cf7f0264bbfaa09998c870e396087f23b91e377d3abcc9a2d9456850b622b371 WHIRLPOOL 6d563046e2f7fc6178b4c94c7bb9a73a19df02a51b53e2556a5141809b6f286cac86c7b04afafab9e6038733c06ee67965a7dbe6db67d44e0363c18c036d3051
DIST gromacs-4.6.5.tar.gz 10991576 SHA256 a7242f315963a111e87fd28795696b1e818ac97479788356c4f73a04e9cdef09 SHA512 6ebb3ef74cf9ef2a749bdad6ce7c2deca607ef3b04cab3ce0be25ac1e7c69b3716761a66b5214642b82a96571e488d8a7bffda651840e56d95c14ba099cc1e0c WHIRLPOOL e639f0d1256173dafe8ba1231d46596f23a29b5ab97883600673b078e2927492dd473834398cd9fd864eb3d529ef853c2592d0b2c5ebb18ebb25ca171568aa72
DIST gromacs-4.6.6.tar.gz 10991950 SHA256 294b6e8eacf7064bd609edd6e9a6ce2ce9122876bc1abd593ddcb018a9b01bb0 SHA512 ff790db256d6759cde0eeb34e71937d63714c4efc9aa390532593c807ebcfa061036a16c8dd4e634c6f90b7ab120a0bf041daeab1e6e2a37f3ac4065213d8a70 WHIRLPOOL aba06e7a688a4bea7b0a9250b15789dc97157c583d08a13b78c76a581d41f2fcf63955a85c482679ab08564bad12ef81c95a712796193cf45f2b3d1051a089bd
DIST gromacs-5.0.tar.gz 26862408 SHA256 c2c9b5e75e014785641f39fbbde9829ce200f963344b35fa942f041a0dcfeb20 SHA512 4b3cf7cad06ae7e98d8d794a05561874d8e5061e8c9ee91e5f028e7c7d4b42669b74efa3f52e5d864efa86da78d76637e8917edc99cd1cbf7c8dd9c2681e1270 WHIRLPOOL d9020a1c0e3aaf716a98ac1280e4d67e3f8f611cadc94465119711195c58c6bdc962926dfd579b8e13b1c1092539a1aa9768cb442dd7752c6b310a8116b7aaa3
-DIST gromacs-manual-4.6.2.pdf 6208213 SHA256 b95e4681d474caf0596d179a83f3e499b49e8900eb013900027a783a4c16c3d7 SHA512 e61fef9c2f1d978809c47723b48b35eddcfa5e98e573924d4b53d6aa686e893641b44ce07b217b9b3ecb34221f7eab3e7d0d6a8e1ced7f9db1ff478a32864574 WHIRLPOOL cd313c78472614f242e639d40764d3d797f4202bd52f706b4d0f0385b40dd6dac01a1676ec12374a2fb63e4490dc0a9ef39bbbc319d50fa59eaafcc6213df5f1
DIST gromacs-manual-4.6.5.pdf 5525415 SHA256 0ae0a1f38c236a9b03200f32fc87a70e74adc2a446669973db1e6069e45dedfe SHA512 31174cc17bebf637a5c565fa307aae6cd5a434cceddab005b2ca8dd10a2e1252818b7f2d9e8f9571ef3fcdb904f1043280ea40c1ac38c4a3fd02ab1397ab8c92 WHIRLPOOL a2f49c2f3241ca2d50e678d452bbf57a8d50b282045d0b8afaca4f5fa96b7e92fe77894376244b45f7286de54a91eb87abeaa9170f56c81433c4cfa703352dd8
DIST gromacs-manual-4.6.6.pdf 5526314 SHA256 e44b601dc2cff6b095927b5d4c718b073ddf04e64f5c1c2fd6e5bd61c2770f05 SHA512 cef295c9eb64766f7fccf89c1fb077d492488319d7c688c37a2f19dc7771c85d4cbefc49269d9c715094075e8b0206832c4f32c80873889855a2037bf06d6c9c WHIRLPOOL fbd789c5787ce9c92b5fb2fae4ff4ccc758265fdd005a27a93295675c9625f9a4bf4eabe3761699bbf7861fb11eee75104e7183097307b52bbc01e5ee3ab665b
-DIST regressiontests-4.6.2.tar.gz 43576124 SHA256 6f79d545affa86c027f1e023dee282885b481551e522e441f772112bcd6295ff SHA512 fa78221201c6390d9b4649c848e464051993cb3acff6f7fb07e8e0e68f70f5ba2d917ba7ff9b5d5fd7a0c3a7435c98e2dbc02925e44f8a220ed073e054f510a0 WHIRLPOOL 1316fd0fe98b2b89ee95a2bccfbb5c4a7f0661bc30ceb04c5d1654b60513097e094ebca661b3fc4df32fad774bc6c14bb68841227530f0618d39fadf2e56d358
DIST regressiontests-4.6.5.tar.gz 44026759 SHA256 50b611970c68eef3d1d3d043a6ca419c681540d73c96f26d6e9d2857fda3fb91 SHA512 817743f531a072b9940dc916daf79a83980eae7411e36cb003cbf7790282ca33375bdf0cb0e764500e5fac3ff09903b44588bc14a6c92bf73c020ea1fbaa7b38 WHIRLPOOL 835584596f630cea28ba76bb0fa5d131f8f781f64dc98292e20249ec8c9f063e329c15781fe473b66fc0b97292e3f68dce6a868094a45c9139c822425e669de7
DIST regressiontests-4.6.6.tar.gz 44035165 SHA256 498ecc2ed24cf41ca1e5d82e27c76b869d0a9f9bfaaea77774c4d63c33bb62f8 SHA512 675245785bcb49a88e6bff098b0a794e5c3b01f9f963fa234daffca7e6af8b69df3ae6f8b032ebfa8378b6cb7753355bca559f15958a9a72ddd9d5ec8410a74f WHIRLPOOL 07f19377d2260bf22461c7d50971e1a9acb3e56d00ff5b892de4440a549f23aebb3f633c912fc22a416046c8102d27dbb40b4f0b3019070405713d1163037b47
DIST regressiontests-5.0.tar.gz 60961669 SHA256 d1c83bc855eec9a210e8f55362fa99e12f715c16a8bf3d62fe232ad94027c824 SHA512 6c5a11ec0ec9b67ecd80cfed1ed726f5bf2a3821624ca43097393fd7ec76c83ae4bfa0af2e69e6be0fe499b57504bb02e1007da39479daf82ca7c0a10342a10e WHIRLPOOL fcd20ad5db82d6b5fdba41da55d4c6e7998028d03b02c16e222ec292a8291f5aeac959993461dbc867a2ec55085e6bf71f7be06afee0389e8d3dacf7eee3b623
-EBUILD gromacs-4.6.2.ebuild 9000 SHA256 508e8217912fa496d26374d0b4f67276f827a2449681a44d76fa883f18dd7b23 SHA512 8326acfa706b7ad0d3b59671ae3e51ebb420809d093e9fc4a5d9a49970c0b4ec8fd2e35162d90c8607826a052295aeeab57cb5ab2480b4488fd8ca6f77f01c93 WHIRLPOOL 388b819a622f1df21371468ec3579b1bc6896165d35d4570fb9c08c823abc80648055a7ba45db4ce1e7d7ac2912390c7c0d176edf95c686d631eca78b7fd1a0c
EBUILD gromacs-4.6.5.ebuild 9004 SHA256 b6dc5dc03033100defe0ab09e0573a7c83c3042c250a5361ca23d237cb1ebca5 SHA512 4e7b348c4643f8b9d4c7771d53988f5479f389944993b1930714b0a92c59013fd958926b6da85e5f0f61b12301528e58735db028db2f2dc4a5e82324dfb8ccd7 WHIRLPOOL 4f103cfc28bc3cb10f30e4f087fef0edba7eff0d6328299551022bdde481fc8b38dce32387a8e0f6bb64fc2e1dbad19c1dd947a39978c5025aab7f40d68e5c88
EBUILD gromacs-4.6.6.ebuild 9072 SHA256 0e2f3f1ac07c8db2ac3ac114c1279d988d8e0536e02dc0d6bd0e014a0046cf6f SHA512 37170e342f3f6b6d4927c22fba7453b5e21ee44703d2756cd93ed3eec452b478941c2009351f6683d11063e45a9c195d54e3f5294f278086804e0437f370a84d WHIRLPOOL d7f76dd0c19cf7c0f756bbc08aca24b2d96096575f1cc655adba10c6b655aa90776cef365ba68501f9732727385952cc0fd585cff34f830f1d6e30cf79b671d7
EBUILD gromacs-5.0.ebuild 7502 SHA256 60784609fb51f9075b9c28104f5ff81907ca868613465bb70338ed3c7fefba76 SHA512 f624d7d1c512d89532cbf7d7ff13419f07489c787ec7c4e76798dd8f55435518c782407fe2a771a24246230f13e9ac3b14612ea0b43a8e2ae065ae11e161b04a WHIRLPOOL 8cd7733e6d6b2debed3ed96b7c0d081b6420b286f46a03000517866b31a27d88a8e6920a922411f578bccd381fc96c84400b62aa89527430ddafb8cf56b45a29
-MISC ChangeLog 22847 SHA256 284fd5a83e86298e5186daa5cdd472456962d2063803264aa2fce8cbf0ef5378 SHA512 c0dd2005ce22588e04045aba6f3a9d1273672b2714d50141f724abec0e68a591129d1fd53c436010fd54df85bc5192bacdfef511c28b7826b68879bb3ea97801 WHIRLPOOL 086a5fd1900f0bda6c67d5284746460e8e970f06242c4d64c7d4123d5bfab2bb6b8617f7b442064a5ee4a4a7004e14e9bd4aab35ccc3162f2bcf807861b6180e
+MISC ChangeLog 22938 SHA256 6d6b24c6b40a9817f4e8da40326a8086a7742d24ad190ac7f57d42dac3dfe6db SHA512 fc1c2f457f761a44ae37be09812a01ab0f4fe16d51c0c54fbad882e2368f9f93686c516c7dc2b8f65d783817d162210faf6c1a5eec64a3b9ca05ea9885a70092 WHIRLPOOL 130bb8df9c7719f5ceb9003051fe8b8863036303335b4e53fce764c79125813808dd771cd03c99c357ffb4c1f1977ef35b7a18a886878db5c964ba410bd262aa
MISC metadata.xml 1444 SHA256 e58e4769cc016220f8423b30f758dee28183f51c61d7ae7ed5611be07ad372e6 SHA512 f44febb5c06bca01bd788766ddf4cba6c44f21e79eb7d9f2e6cc5ba65be2cac4df5f8b4e4ccfc08fc66df181c8ecd2ae858c67e713e33b5ae8bdaecde3dcf974 WHIRLPOOL df5bc1089c4118f86b289e655a6bd69e66ef5232c854e8e79d6edc69feb506ecea064ff7ba088dac2dd656ddf896c3b84626856ce7da6779722b01acb9672052
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diff --git a/sci-chemistry/gromacs/gromacs-4.6.2.ebuild b/sci-chemistry/gromacs/gromacs-4.6.2.ebuild
deleted file mode 100644
index 1c22a976ea65..000000000000
--- a/sci-chemistry/gromacs/gromacs-4.6.2.ebuild
+++ /dev/null
@@ -1,283 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-4.6.2.ebuild,v 1.6 2013/09/02 08:13:07 ago Exp $
-
-EAPI=5
-
-TEST_PV="4.6.2"
-MANUAL_PV="4.6.2"
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils cuda eutils multilib readme.gentoo toolchain-funcs
-
-if [[ $PV = *9999* ]]; then
- EGIT_REPO_URI="git://git.gromacs.org/gromacs.git
- https://gerrit.gromacs.org/gromacs.git
- git://github.com/gromacs/gromacs.git
- http://repo.or.cz/r/gromacs.git"
- EGIT_BRANCH="release-4-6"
- inherit git-2
- LIVE_DEPEND="doc? (
- dev-texlive/texlive-latex
- dev-texlive/texlive-latexextra
- media-gfx/imagemagick
- sys-apps/coreutils
- )"
-else
- SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz
- doc? ( ftp://ftp.gromacs.org/pub/manual/manual-${MANUAL_PV}.pdf -> ${PN}-manual-${MANUAL_PV}.pdf )
- test? ( http://${PN}.googlecode.com/files/regressiontests-${TEST_PV}.tar.gz )"
- LIVE_DEPEND=""
-fi
-
-ACCE_IUSE="sse2 sse4_1 avx128fma avx256"
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-HOMEPAGE="http://www.gromacs.org/"
-
-# see COPYING for details
-# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
-# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib
-LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
-SLOT="0/${PV}"
-KEYWORDS="alpha amd64 arm ppc64 ~sparc x86 ~amd64-linux ~x86-linux ~x86-macos"
-IUSE="X blas cuda doc -double-precision +fftw gsl lapack mkl mpi +offensive openmm openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}"
-
-CDEPEND="
- X? (
- x11-libs/libX11
- x11-libs/libSM
- x11-libs/libICE
- )
- blas? ( virtual/blas )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- fftw? ( sci-libs/fftw:3.0 )
- gsl? ( sci-libs/gsl )
- lapack? ( virtual/lapack )
- mkl? ( sci-libs/mkl )
- mpi? ( virtual/mpi )
- openmm? (
- >=dev-util/nvidia-cuda-toolkit-4.2.9-r1
- sci-libs/openmm[cuda,opencl]
- )"
-DEPEND="${CDEPEND}
- virtual/pkgconfig
- ${LIVE_DEPEND}"
-RDEPEND="${CDEPEND}"
-
-REQUIRED_USE="
- || ( single-precision double-precision )
- cuda? ( single-precision )
- openmm? ( single-precision )
- mkl? ( !blas !fftw !lapack )"
-
-DOCS=( AUTHORS README )
-HTML_DOCS=( "${ED}"/usr/share/gromacs/html/ )
-
-pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
-}
-
-src_unpack() {
- if [[ ${PV} != *9999 ]]; then
- default
- else
- git-2_src_unpack
- if use doc; then
- EGIT_REPO_URI="git://git.gromacs.org/manual.git" \
- EGIT_BRANCH="release-4-6" EGIT_NOUNPACK="yes" EGIT_COMMIT="release-4-6" \
- EGIT_SOURCEDIR="${WORKDIR}/manual"\
- git-2_src_unpack
- fi
- if use test; then
- EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
- EGIT_BRANCH="master" EGIT_NOUNPACK="yes" EGIT_COMMIT="master" \
- EGIT_SOURCEDIR="${WORKDIR}/regressiontests"\
- git-2_src_unpack
- fi
- fi
-}
-
-src_prepare() {
- #notes/todos
- # -on apple: there is framework support
-
- cmake-utils_src_prepare
-
- use cuda && cuda_src_prepare
-
- GMX_DIRS=""
- use single-precision && GMX_DIRS+=" float"
- use double-precision && GMX_DIRS+=" double"
-
- if use test; then
- for x in ${GMX_DIRS}; do
- mkdir -p "${WORKDIR}/${P}_${x}" || die
- cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
- done
- fi
-
- DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
-}
-
-src_configure() {
- local mycmakeargs_pre=( ) extra fft_opts=( )
-
- #go from slowest to fastest acceleration
- local acce="None"
- use sse2 && acce="SSE2"
- use sse4_1 && acce="SSE4.1"
- use avx128fma && acce="AVX_128_FMA"
- use avx256 && acce="AVX_256"
-
- #to create man pages, build tree binaries are executed (bug #398437)
- [[ ${CHOST} = *-darwin* ]] && \
- extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
-
- if use fftw; then
- fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
- elif use mkl && has_version "=sci-libs/mkl-10*"; then
- fft_opts=( -DGMX_FFT_LIBRARY=mkl
- -DMKL_INCLUDE_DIR="${MKLROOT}/include"
- -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
- )
- elif use mkl; then
- local bits=$(get_libdir)
- fft_opts=( -DGMX_FFT_LIBRARY=mkl
- -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
- -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
- )
- else
- fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
- fi
-
- mycmakeargs_pre+=(
- "${fft_opts[@]}"
- $(cmake-utils_use X GMX_X11)
- $(cmake-utils_use blas GMX_EXTERNAL_BLAS)
- $(cmake-utils_use gsl GMX_GSL)
- $(cmake-utils_use lapack GMX_EXTERNAL_LAPACK)
- $(cmake-utils_use openmp GMX_OPENMP)
- $(cmake-utils_use offensive GMX_COOL_QUOTES)
- -DGMX_DEFAULT_SUFFIX=off
- -DGMX_ACCELERATION="$acce"
- -DGMXLIB="$(get_libdir)"
- -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
- -DGMX_PREFIX_LIBMD=ON
- -DGMX_X86_AVX_GCC_MASKLOAD_BUG=OFF
- -DGMX_USE_GCC44_BUG_WORKAROUND=OFF
- ${extra}
- )
-
- for x in ${GMX_DIRS}; do
- einfo "Configuring for ${x} precision"
- local suffix=""
- #if we build single and double - double is suffixed
- use double-precision && use single-precision && \
- [[ ${x} = "double" ]] && suffix="_d"
- local p
- [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
- local cuda=( "-DGMX_GPU=OFF" )
- [[ ${x} = "float" ]] && use cuda && \
- cuda=( -DGMX_GPU=ON )
- mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=OFF
- $(cmake-utils_use threads GMX_THREAD_MPI) "${cuda[@]}" -DGMX_OPENMM=OFF
- "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
- -DGMX_BINARY_SUFFIX="${suffix}" -DGMX_LIBS_SUFFIX="${suffix}" )
- BUILD_DIR="${WORKDIR}/${P}_${x}" cmake-utils_src_configure
- if [[ ${x} = float ]] && use openmm; then
- einfo "Configuring for openmm build"
- mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=OFF
- -DGMX_THREAD_MPI=OFF -DGMX_GPU=OFF -DGMX_OPENMM=ON
- -DOpenMM_PLUGIN_DIR="${EPREFIX}/usr/$(get_libdir)/plugins"
- -DGMX_BINARY_SUFFIX="_openmm" -DGMX_LIBS_SUFFIX="_openmm" )
- BUILD_DIR="${WORKDIR}/${P}_openmm" \
- OPENMM_ROOT_DIR="${EPREFIX}/usr" cmake-utils_src_configure
- fi
- use mpi || continue
- einfo "Configuring for ${x} precision with mpi"
- mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_THREAD_MPI=OFF
- -DGMX_MPI=ON ${cuda} -DGMX_OPENMM=OFF
- -DGMX_BINARY_SUFFIX="_mpi${suffix}" -DGMX_LIBS_SUFFIX="_mpi${suffix}" )
- BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure
- done
-}
-
-src_compile() {
- for x in ${GMX_DIRS}; do
- einfo "Compiling for ${x} precision"
- BUILD_DIR="${WORKDIR}/${P}_${x}"\
- cmake-utils_src_compile
- if [[ ${x} = float ]] && use openmm; then
- einfo "Compiling for openmm build"
- BUILD_DIR="${WORKDIR}/${P}_openmm"\
- cmake-utils_src_compile mdrun
- fi
- use mpi || continue
- einfo "Compiling for ${x} precision with mpi"
- BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
- cmake-utils_src_compile mdrun
- done
-}
-
-src_test() {
- for x in ${GMX_DIRS}; do
- BUILD_DIR="${WORKDIR}/${P}_${x}"\
- cmake-utils_src_make check
- done
-}
-
-src_install() {
- for x in ${GMX_DIRS}; do
- BUILD_DIR="${WORKDIR}/${P}_${x}" \
- cmake-utils_src_install
- if [[ ${x} = float ]] && use openmm; then
- BUILD_DIR="${WORKDIR}/${P}_openmm" \
- DESTDIR="${D}" cmake-utils_src_make install-mdrun
- fi
- #manual can only be build after gromacs was installed once in image
- if use doc && [[ $PV = *9999* && ! -d ${WORKDIR}/manual_build ]]; then
- mycmakeargs=( -DGMXBIN="${ED}"/usr/bin -DGMXSRC="${WORKDIR}/${P}" )
- BUILD_DIR="${WORKDIR}"/manual_build \
- CMAKE_USE_DIR="${WORKDIR}/manual" cmake-utils_src_configure
- [[ ${CHOST} = *-darwin* ]] && \
- export DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)"
- BUILD_DIR="${WORKDIR}"/manual_build cmake-utils_src_make
- [[ ${CHOST} = *-darwin* ]] && DYLD_LIBRARY_PATH="${ED}/usr/$(get_libdir)"
- newdoc "${WORKDIR}"/manual_build/gromacs.pdf "${PN}-manual-${PV}.pdf"
- fi
- use mpi || continue
- BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
- DESTDIR="${D}" cmake-utils_src_make install-mdrun
- done
-
- use doc && [[ $PV != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${MANUAL_PV}.pdf"
- newbashcomp "${ED}"/usr/bin/completion.bash ${PN}
- if use zsh-completion ; then
- insinto /usr/share/zsh/site-functions
- newins "${ED}"/usr/bin/completion.zsh _${PN}
- fi
- rm -f "${ED}"usr/bin/completion.*
- rm -rf "${ED}"usr/share/gromacs/html
- rm -f "${ED}"usr/bin/g_options*
- rm -f "${ED}"usr/bin/GMXRC*
-
- readme.gentoo_create_doc
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
- einfo "http://dx.doi.org/10.1021/ct700301q"
- if use offensive; then
- einfo
- einfo $(g_luck)
- einfo "For more Gromacs cool quotes (gcq) add g_luck to your .bashrc"
- fi
- einfo
- readme.gentoo_print_elog
-}