DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d359414c527f8de99bed1fdd94d2 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 WHIRLPOOL 3f50513137283f4deb9b6a2c13a7ba63814b0ddd59d33e428fba9d3f94f61baa1b3b9d9d080982453a7828d2a98e619cded4d27716fd165db595832a157c9f6b
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
-DIST lammps-16Apr15.tar.gz 63842472 SHA256 65aecf6f25a055734ef113890a86ecbf7f8478105238c507e5f9bcbeb657bc99 SHA512 95639145db66e76bd27a865849dc0ad15d3920f7ca9f1fb9a426e457376d0c939c57440e89fa6903d1989ca5e5c6c97d8d283928e1dbf33dd94ba88dbb05a252 WHIRLPOOL 422f6814093f22820cfd8fada1d97735c1a8f0388b34e6bad49e361e411b254ea89e6bf7afa8390c0cba1371a6d038fa84cf93583568c5223e42d95210f13515
-DIST lammps-18Apr15.tar.gz 63883297 SHA256 4ce74978da738383a1d808a37481c3c43d4f8f44d919770b3f2cdd4fcf03345b SHA512 be088ec59b7fe495fff3cdfcc5ccb52d2705eec20deb5c8694a215943786652c9dc22a81ba48324707495c3f56c0c347af964d1952ae077c8db02258cf31387a WHIRLPOOL c90403147cc4eda5b4f581cd1bd18bcc8f45a73b1d0e51dcd64c52fc636116c9d57337b89b5753c86e1bbf386f8a2391a9813a6e32154a819f3e35cfc816b5e2
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-18Jul15.tar.gz 66065642 SHA256 deb6625b7c21cf94fc7ee9aefb2edf55a6c8dc870e919028c9ffa1cd169d57ed SHA512 d26dd0084779e037af35bc26f81cdca5a7617f841860e6eab7d52f6c023d2c001075aad5dc3d656ceb6e92650589acc472fa5c8954fd9ab81ec0b737e377284b WHIRLPOOL 66794b7250cdb077bcbeb2b95a464aecc684f7592d81f3db4a3702195ef1d8404eb4b1f38e6c1dd859a42dd8ca1ebd039cbac4d9fd11be99a376168f2c498cdd
DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c59a630ba61f2a8ac3cfbd284ef7 SHA512 cbf39b3559ac60d5ad92299370bf9af76c0bd7fec62dbaa429d5127d561978426d16b03510b815ffeb6b0acdb362523809adf7ac3fbc2fea8cc484010b1ef7bc WHIRLPOOL 41df92b1f5baf52e846032f12c80f813b84fcd1c71f8c7dad5594780da154345d1b1bdea6b68f4c4b71029346d74d4ff3a813f1101437a01be65df7cf6d0d246
DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
-DIST lammps-28Apr15.tar.gz 63883556 SHA256 6e7c32690cf8bb5a4fb147bab6029cc1d03594ec7b3ea3833e7dc89acc596d8a SHA512 414c786e8666cddd31a3200baedc76974371280dc219636914dd7863f03e32e11f637a9c184af78d8d4da22afe4cf734b6a0eb32c78d6f53ee95d796a3e080c0 WHIRLPOOL c57a91f9d5e977d26cdb2076b5bbd2f3b5791396c23b5326f16cc609b9646e80c602a492b312b4e5f78d1d638c4a6b66e9a49b1ced02274ad7202821a2884975
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
-DIST lammps-30Apr15.tar.gz 63892754 SHA256 d4a193fd5aa9417ec9d15a3be1e2b149302aacf3d9321886a806b0f4ca91611e SHA512 889fc315719e6f50f802b72a8a0c6e6d7eedb84b67e8b39ae9ea93feb2d526914639848cbfbcbb6dd8b8718c3b332f617f001c6ef04fe14d0685106fcac821bd WHIRLPOOL a681662a0c37fcb701ced8f2cd4f085dfd0ff250faac2c62abd07b718e3bf12ddbf366f725fbc21bc4547e6ef3ca3042ee84571a1fa0277a4c3d7d273ccaa099
+++ /dev/null
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-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="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"
-
-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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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.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
-}
+++ /dev/null
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-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="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"
-
-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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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.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
-}
+++ /dev/null
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-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="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"
-
-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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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.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
-}
+++ /dev/null
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-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="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"
-
-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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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.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
-}
projects / gentoo.git / commitdiff