sci-physics/lammps: Version bump.

Package-Manager: portage-2.2.20.1

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 3e01977d55c76dbf2679f5b4f2f4ad1c5d8b4be4..1bad744ff54d9af60312cd61c633ecdc53431a03 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,5 +1,6 @@
 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-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
@@ -9,3 +10,4 @@ DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e1
 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-20150909.ebuild b/sci-physics/lammps/lammps-20150909.ebuild
new file mode 100644 (file)
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150909.ebuild
@@ -0,0 +1,267 @@
+# 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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+       # The lammps makefile uses CC to indicate the C++ compiler.
+       emake \
+               ARCHIVE=$(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
+       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-r1.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-20150911.ebuild b/sci-physics/lammps/lammps-20150911.ebuild
new file mode 100644 (file)
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150911.ebuild
@@ -0,0 +1,267 @@
+# 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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+       # The lammps makefile uses CC to indicate the C++ compiler.
+       emake \
+               ARCHIVE=$(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
+       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-r1.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
+}