diff options
Diffstat (limited to 'sci-chemistry/gromacs/gromacs-4.6.9999.ebuild')
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-4.6.9999.ebuild | 47 |
1 files changed, 28 insertions, 19 deletions
diff --git a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild index 5e52c9f20..7babac633 100644 --- a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild @@ -4,10 +4,12 @@ EAPI=5 -TEST_PV="4.6" -MANUAL_PV="4.6" +TEST_PV="4.6.1" +MANUAL_PV="4.6.1" -inherit bash-completion-r1 cmake-utils cuda eutils multilib toolchain-funcs +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 @@ -16,10 +18,17 @@ if [[ $PV = *9999* ]]; then http://repo.or.cz/r/gromacs.git" EGIT_BRANCH="release-4-6" inherit git-2 + LIVE_DEPEND="doc? ( + dev-texlive/texlive-latex + dev-texlive/texlive-latexextra + media-gfx/imagemagick + sys-apps/coreutils + )" else SRC_URI="ftp://ftp.gromacs.org/pub/${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" @@ -32,7 +41,7 @@ HOMEPAGE="http://www.gromacs.org/" # 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 ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x86-macos" +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 ${ACCE_IUSE}" CDEPEND=" @@ -54,11 +63,7 @@ CDEPEND=" )" DEPEND="${CDEPEND} virtual/pkgconfig - doc? ( - dev-texlive/texlive-latex - media-gfx/imagemagick - sys-apps/coreutils - )" + ${LIVE_DEPEND}" RDEPEND="${CDEPEND}" REQUIRED_USE=" @@ -68,7 +73,7 @@ REQUIRED_USE=" mkl? ( !blas !fftw !lapack ) !openmm" #broken, but https://gerrit.gromacs.org/#/c/2087/ -DOCS=( AUTHORS INSTALL.cmake README ) +DOCS=( AUTHORS README ) HTML_DOCS=( "${ED}"/usr/share/gromacs/html/ ) pkg_pretend() { @@ -101,8 +106,7 @@ src_prepare() { #notes/todos # -on apple: there is framework support - #add user patches from /etc/portage/patches/sci-chemistry/gromacs - epatch_user + cmake-utils_src_prepare use cuda && cuda_src_prepare @@ -117,9 +121,7 @@ src_prepare() { done fi - if use openmm; then - sed -i '/option.*GMX_OPENMM/s/^#//' src/contrib/CMakeLists.txt || die - fi + DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" } src_configure() { @@ -179,10 +181,11 @@ src_configure() { [[ ${x} = "double" ]] && suffix="_d" local p [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF" - local cuda=$(cmake-utils_use cuda GMX_GPU) - [[ ${x} = "double" ]] && use cuda && cuda="-DGMX_GPU=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 + $(cmake-utils_use threads GMX_THREAD_MPI) "${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 @@ -190,6 +193,7 @@ src_configure() { 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 @@ -240,7 +244,10 @@ src_install() { 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 @@ -258,6 +265,8 @@ src_install() { 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() { @@ -271,5 +280,5 @@ pkg_postinst() { einfo "For more Gromacs cool quotes (gcq) add g_luck to your .bashrc" fi einfo - elog "Gromacs can use sci-chemistry/vmd to read additional file formats" + readme.gentoo_print_elog } |