forked from gentoo/gentoo
-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Package-Manager: Portage-2.3.6, Repoman-2.3.1
- Loading branch information
Showing
2 changed files
with
220 additions
and
0 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,219 @@ | ||
| # Copyright 1999-2017 Gentoo Foundation | ||
| # Distributed under the terms of the GNU General Public License v2 | ||
|
|
||
| EAPI=6 | ||
|
|
||
| PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} ) | ||
|
|
||
| inherit eutils flag-o-matic fortran-2 multilib python-r1 | ||
|
|
||
| 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="http://lammps.sandia.gov/" | ||
| SRC_URI="http://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" | ||
|
|
||
| # blas/lapack is needed by the ATC package which is only built with MPI. | ||
| DEPEND=" | ||
| gzip? ( app-arch/gzip ) | ||
| mpi? ( | ||
| virtual/mpi | ||
| ) | ||
| python? ( ${PYTHON_DEPS} ) | ||
| sci-libs/voro++ | ||
| virtual/blas | ||
| virtual/lapack | ||
| " | ||
| RDEPEND="${DEPEND}" | ||
|
|
||
| REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" | ||
|
|
||
| S="${WORKDIR}/${MY_P}" | ||
|
|
||
| PATCHES=( | ||
| "${FILESDIR}/fm_exp.patch" | ||
| ) | ||
|
|
||
| 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) $(FCFLAGS):' \ | ||
| tools/Makefile || die | ||
|
|
||
| eapply "${PATCHES[@]}" | ||
| eapply_user | ||
| } | ||
|
|
||
| src_compile() { | ||
| # Fix atc... | ||
| append-cxxflags -I../../src | ||
|
|
||
| # Acticate packages. | ||
| elog "Activating lammps packages..." | ||
| lmp_activate_packages | ||
|
|
||
| # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include | ||
| # "mpi.h"' which requires an additional '-I.'. | ||
| append-cxxflags -I. | ||
|
|
||
| # 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 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/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 | ||
| dodoc -r doc/. | ||
| fi | ||
| } |