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authorNicolas Bock <nicolasbock@gentoo.org>2014-03-31 12:27:14 +0000
committerNicolas Bock <nicolasbock@gentoo.org>2014-03-31 12:27:14 +0000
commit5a6f6eaf21c77432d37f1c353811c027243f5a3e (patch)
tree17cbc6d6d3dad0c84d6a9324615ea1570480e6f6 /sci-physics
parentHand over maintainership to jlec and qnikst. (diff)
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sci-physics/lammps-20140320: Version bump.
(Portage version: 2.2.8-r1/cvs/Linux x86_64, signed Manifest commit with key AC91CA52)
Diffstat (limited to 'sci-physics')
-rw-r--r--sci-physics/lammps/ChangeLog7
-rw-r--r--sci-physics/lammps/lammps-20140320.ebuild186
2 files changed, 192 insertions, 1 deletions
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 19a86ad9dad4..d04643643d24 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,11 @@
# ChangeLog for sci-physics/lammps
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.29 2014/03/17 15:29:51 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.30 2014/03/31 12:27:14 nicolasbock Exp $
+
+*lammps-20140320 (31 Mar 2014)
+
+ 31 Mar 2014; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20140320.ebuild:
+ sci-physics/lammps-20140320: Version bump.
17 Mar 2014; Christoph Junghans <ottxor@gentoo.org> lammps-20140314.ebuild:
added ~x86 (tested by me)
diff --git a/sci-physics/lammps/lammps-20140320.ebuild b/sci-physics/lammps/lammps-20140320.ebuild
new file mode 100644
index 000000000000..a5af59af5a0f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20140320.ebuild
@@ -0,0 +1,186 @@
+# Copyright 1999-2014 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140320.ebuild,v 1.1 2014/03/31 12:27:14 nicolasbock Exp $
+
+EAPI=5
+
+inherit eutils 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="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static-libs"
+
+DEPEND="
+ mpi? ( virtual/mpi )
+ sci-libs/voro++
+ "
+RDEPEND="${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') \
+ "$@"
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i -e 's:$(CCFLAGS):$(CCFLAGS) -fPIC:' src/STUBS/Makefile || die
+ sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/meam/Makefile.gfortran || die
+ sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/reax/Makefile.gfortran || die
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ src/VORONOI/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+}
+
+src_compile() {
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src stubs
+
+ # Build packages
+ emake -C src yes-asphere
+ emake -C src yes-body
+ emake -C src yes-class2
+ emake -C src yes-colloid
+ emake -C src yes-dipole
+ emake -C src yes-fld
+ #emake -C src yes-gpu
+ emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #emake -C src yes-kim
+ emake -C src yes-kspace
+ emake -C src yes-manybody
+ emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+ emake -C src yes-misc
+ emake -C src yes-molecule
+ #emake -C src yes-mpiio
+ emake -C src yes-opt
+ emake -C src yes-peri
+ #emake -C src yes-poems
+ #lmp_emake -j1 -C lib/poems -f Makefile.g++
+ emake -C src yes-reax
+ lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+ emake -C src yes-replica
+ emake -C src yes-rigid
+ emake -C src yes-shock
+ emake -C src yes-srd
+ emake -C src yes-voronoi
+ emake -C src yes-xtc
+
+ if use static-libs; then
+ # Build static library.
+ lmp_emake -C src makelib
+ lmp_emake -C src -f Makefile.lib serial
+ fi
+
+ # Build shared library.
+ lmp_emake -C src makeshlib
+ lmp_emake -C src -f Makefile.shlib serial
+
+ # Compile main executable.
+ lmp_emake -C src serial
+
+ # Compile tools.
+ emake -C tools binary2txt chain micelle2d data2xmovie
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(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
+}