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Diffstat (limited to 'sci-physics/lammps/lammps-20151120.ebuild')
| -rw-r--r-- | sci-physics/lammps/lammps-20151120.ebuild | 212 |
1 files changed, 0 insertions, 212 deletions
diff --git a/sci-physics/lammps/lammps-20151120.ebuild b/sci-physics/lammps/lammps-20151120.ebuild deleted file mode 100644 index 2fde77a451e4..000000000000 --- a/sci-physics/lammps/lammps-20151120.ebuild +++ /dev/null @@ -1,212 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} |