diff options
Diffstat (limited to 'sci-physics/lammps/lammps-20150210.ebuild')
| -rw-r--r-- | sci-physics/lammps/lammps-20150210.ebuild | 205 |
1 files changed, 0 insertions, 205 deletions
diff --git a/sci-physics/lammps/lammps-20150210.ebuild b/sci-physics/lammps/lammps-20150210.ebuild deleted file mode 100644 index 78352de60d51..000000000000 --- a/sci-physics/lammps/lammps-20150210.ebuild +++ /dev/null @@ -1,205 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -inherit eutils flag-o-matic fortran-2 multilib - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${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/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 x86" -IUSE="doc examples gzip lammps-memalign mpi static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # 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)" '')"\ - "$@" -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$: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) $(FCFLAGS):' \ - tools/Makefile || die -} - -src_compile() { - # Prepare compiler flags. - append-cxxflags -fPIC -I../../src - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build packages - emake -C src yes-asphere - emake -C src yes-body - emake -C src yes-class2 - emake -C src yes-colloid - emake -C src yes-dipole - emake -C src yes-fld - #emake -C src yes-gpu - emake -C src yes-granular - # Need OpenKIM external dependency. - #emake -C src yes-kim - # Need Kokkos external dependency. - #emake -C src yes-kokkos - emake -C src yes-kspace - emake -C src yes-manybody - emake -C src yes-mc - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - emake -C src yes-misc - emake -C src yes-molecule - #emake -C src yes-mpiio - emake -C src yes-opt - emake -C src yes-peri - emake -C src yes-poems - lmp_emake -C lib/poems -f Makefile.g++ - emake -C src yes-reax - lmp_emake -j1 -C lib/reax -f Makefile.gfortran - emake -C src yes-replica - emake -C src yes-rigid - emake -C src yes-shock - emake -C src yes-snap - emake -C src yes-srd - emake -C src yes-voronoi - emake -C src yes-xtc - - emake -C src yes-user-eff - emake -C src yes-user-fep - use mpi && emake -C src yes-user-lb - emake -C src yes-user-phonon - emake -C src yes-user-sph - - if use mpi; then - emake -C src yes-user-atc - lmp_emake -C lib/atc -f Makefile.g++ - fi - - if use static-libs; then - # Build static library. - lmp_emake -C src makelib - lmp_emake -C src -f Makefile.lib serial - fi - - # Build shared library. - lmp_emake -C src makeshlib - lmp_emake -C src -f Makefile.shlib serial - - # Compile main executable. - lmp_emake -C src serial - - # Compile tools. - emake -C tools binary2txt chain micelle2d data2xmovie -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${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 - - 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 -} |