diff options
-rw-r--r-- | sci-physics/lammps/Manifest | 4 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20150718.ebuild | 267 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20150721.ebuild | 267 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20150722.ebuild | 267 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20150724.ebuild | 267 |
5 files changed, 0 insertions, 1072 deletions
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index 1bad744ff54d..6145431f5feb 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -3,11 +3,7 @@ DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e0 DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3 DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1 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-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87 DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af diff --git a/sci-physics/lammps/lammps-20150718.ebuild b/sci-physics/lammps/lammps-20150718.ebuild deleted file mode 100644 index 020cfbdc4747..000000000000 --- a/sci-physics/lammps/lammps-20150718.ebuild +++ /dev/null @@ -1,267 +0,0 @@ -# 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 -} diff --git a/sci-physics/lammps/lammps-20150721.ebuild b/sci-physics/lammps/lammps-20150721.ebuild deleted file mode 100644 index 020cfbdc4747..000000000000 --- a/sci-physics/lammps/lammps-20150721.ebuild +++ /dev/null @@ -1,267 +0,0 @@ -# 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 -} diff --git a/sci-physics/lammps/lammps-20150722.ebuild b/sci-physics/lammps/lammps-20150722.ebuild deleted file mode 100644 index 020cfbdc4747..000000000000 --- a/sci-physics/lammps/lammps-20150722.ebuild +++ /dev/null @@ -1,267 +0,0 @@ -# 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 -} diff --git a/sci-physics/lammps/lammps-20150724.ebuild b/sci-physics/lammps/lammps-20150724.ebuild deleted file mode 100644 index 020cfbdc4747..000000000000 --- a/sci-physics/lammps/lammps-20150724.ebuild +++ /dev/null @@ -1,267 +0,0 @@ -# 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 -} |