nicolasbock 15/04/19 19:05:51 Modified: ChangeLog Added: lammps-20150416.ebuild Log: sci-physics/lammps: Version bump (Portage version: 2.2.14/cvs/Linux x86_64, signed Manifest commit with key AC91CA52)
Revision Changes Path 1.97 sci-physics/lammps/ChangeLog file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.97&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.97&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?r1=1.96&r2=1.97 Index: ChangeLog =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v retrieving revision 1.96 retrieving revision 1.97 diff -u -r1.96 -r1.97 --- ChangeLog 15 Apr 2015 22:00:36 -0000 1.96 +++ ChangeLog 19 Apr 2015 19:05:51 -0000 1.97 @@ -1,6 +1,11 @@ # ChangeLog for sci-physics/lammps # Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.96 2015/04/15 22:00:36 nicolasbock Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.97 2015/04/19 19:05:51 nicolasbock Exp $ + +*lammps-20150416 (19 Apr 2015) + + 19 Apr 2015; Nicolas Bock <nicolasb...@gentoo.org> +lammps-20150416.ebuild: + sci-physics/lammps: Version bump 15 Apr 2015; Nicolas Bock <nicolasb...@gentoo.org> -files/chunk.patch: sci-physics/lammps: Removing obsolete patch. 1.1 sci-physics/lammps/lammps-20150416.ebuild file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20150416.ebuild?rev=1.1&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20150416.ebuild?rev=1.1&content-type=text/plain Index: lammps-20150416.ebuild =================================================================== # Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20150416.ebuild,v 1.1 2015/04/19 19:05:51 nicolasbock Exp $ 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 }
