sci-physics/lammps-20140214: Revision bump...

Package-Manager: portage-2.2.7/cvs/Linux x86_64
Manifest-Sign-Key: 0xAC91CA52

4 files changed, 171 insertions, 18 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 7199d2f0acda..3344ec73ae94 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,12 @@
 # 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 1.17 2014/02/19 19:05:49 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.18 2014/02/19 20:12:04 nicolasbock Exp $
+
+*lammps-20140214-r1 (19 Feb 2014)
+
+  19 Feb 2014; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20140214-r1.ebuild,
+  lammps-20140214.ebuild:
+  sci-physics/lammps-20140214: Revision bump...
 
   19 Feb 2014; Nicolas Bock <nicolasbock@gentoo.org> lammps-20140214.ebuild:
   sci-physics/lammps-20140214: Change location of examples.
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 74d89691a5c6..705fdb0a8711 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -16,13 +16,14 @@ EBUILD lammps-20140122.ebuild 2474 SHA256 a53722430133c48e79af46ea29e8f7ee2e15b9
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 EBUILD lammps-20140201.ebuild 2474 SHA256 bf06324d1cfb529efb73ba6ac1cf44482b06e754ec8abd41b77dc5f034c34933 SHA512 2aed9cb6853a488c3a91c4f0935d913665e9fb9397ea7e393dd475830b4eea2d0d8b9d900f9f8c2d1516222a54c5d7f5b4460c05ef0524fcae053de7876af481 WHIRLPOOL 1104d3b7ded4e082519590065bc9698b61642fdbb6a75b5c4f0617465b3e5b89312c3c40cccbd86fe2d7fc4265314fa26d72c7c9362bc89b5dd9544217c09c6d
 EBUILD lammps-20140212.ebuild 3576 SHA256 c456eafcf1392e2c8cffe982cbb9f4d64e574bda3e1a9e91a8fbaf47124813a7 SHA512 c6ad5e506320af87cd8f270d494271936e3e7582ec5b7c6162cb8da15e2409747357959c9187fa047b806c8600b117cfafb1a25eca4fde845075b53bb81fc5c3 WHIRLPOOL bd8fb9a8ab1b624ae2645441a84af622371609fc5210678f06f711db510b1f5ad87959f5fa3235789399294fa3301882a7a5da273c8b13e64f72fa24c61d9ed9
-EBUILD lammps-20140214.ebuild 3593 SHA256 1e16ce9f03edf3c7d1ee50d3be68457290db1a52d1c07d5e07e57f73b006208b SHA512 2b27b4a28366cc3d8af772ebf71e6537f8543a9da2f9db8399d7ef88e57406f5422b379ddf3b690bebc45e9af94a87508670726c0328482bfc0b5c1795ecdb73 WHIRLPOOL 50f5e000be3f6a1f62f26556eb598e69b1603dd0818f2e81f92feec6761547ea800d341a14110ce961734384dc019ac714e88066c736a7d6de6042bb59564546
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+EBUILD lammps-20140214.ebuild 3369 SHA256 4862cf13a843c6ba8110dfb000f32a4a683e55c11797cd4b7920f8f00da4da3a SHA512 afb853a19d96d75ed613fa03963d4a5e6b0cf98a8b40f05dea0eaff407154b9e1a105bd0056fa576abed6e7b30b95fbddb86f158b26a5a51ff31d4f7e31dec2b WHIRLPOOL 2cea4f815004770fdba5116b828efc51e6de875c7c43daad5c0285308ce80dbda92b44b5fb265a081d1bf2dbabad284484f25b51fbcb1002a177c610101570d9
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diff --git a/sci-physics/lammps/lammps-20140214-r1.ebuild b/sci-physics/lammps/lammps-20140214-r1.ebuild
new file mode 100644
index 000000000000..1549844affbd
--- /dev/null
+++ b/sci-physics/lammps/lammps-20140214-r1.ebuild
@@ -0,0 +1,152 @@
+# 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-20140214-r1.ebuild,v 1.1 2014/02/19 20:12:04 nicolasbock Exp $
+
+EAPI=5
+
+inherit eutils fortran-2
+
+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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="doc examples gzip lammps-memalign mpi static-libs"
+
+DEPEND="mpi? ( virtual/mpi )"
+RDEPEND="${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):$(F90FLAGS) -fPIC:' lib/reax/Makefile.gfortran || die
+
+	# Fix makefile in tools.
+	sed -i \
+		-e 's:g++:$(CXX) $(CXXFLAGS):' \
+		-e 's:gcc:$(CC) $(CCFLAGS):' \
+		-e 's:ifort:$(FC) $(FCFLAGS):' \
+		tools/Makefile
+}
+
+src_compile() {
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src stubs
+
+	# Build packages
+	emake -C src yes-dipole
+	emake -C src yes-kspace
+	emake -C src yes-mc
+	lmp_emake -C src yes-meam
+	lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	emake -C src yes-reax
+	emake -C src yes-replica
+	lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+	emake -C src yes-rigid
+	emake -C src yes-shock
+	emake -C src yes-xtc
+
+	if use static-libs; then
+		# Build static library.
+		lmp_emake -C src makelib
+		lmp_emake -C src -f Makefile.lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src makeshlib
+	lmp_emake -C src -f Makefile.shlib serial
+
+	# Compile main executable.
+	lmp_emake -C src serial
+
+	# Compile tools.
+	emake -C tools binary2txt
+}
+
+src_install() {
+	use static-libs && newlib.a "src/liblammps_serial.a" "liblammps.a"
+	newlib.so "src/liblammps_serial.so" "liblammps.so"
+	newbin "src/lmp_serial" "lmp"
+	dobin tools/binary2txt
+	# Don't forget to add header files of optional packages as they are added
+	# to this ebuild. There may also be .mod files from Fortran based
+	# packages.
+	doheader -r src/*.h lib/meam/*.mod
+
+	local LAMMPS_POTENTIALS="/usr/share/${PN}/potentials"
+	insinto "${LAMMPS_POTENTIALS}"
+	doins potentials/*
+	echo "LAMMPS_POTENTIALS=${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
+}
diff --git a/sci-physics/lammps/lammps-20140214.ebuild b/sci-physics/lammps/lammps-20140214.ebuild
index 8c56916c8ad7..d00dd7093b16 100644
--- a/sci-physics/lammps/lammps-20140214.ebuild
+++ b/sci-physics/lammps/lammps-20140214.ebuild
@@ -1,6 +1,6 @@
 # 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-20140214.ebuild,v 1.4 2014/02/19 19:05:49 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140214.ebuild,v 1.5 2014/02/19 20:12:04 nicolasbock Exp $
 
 EAPI=5
 
@@ -105,11 +105,9 @@ src_compile() {
 	emake -C src yes-shock
 	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 static library.
+	lmp_emake -C src makelib
+	lmp_emake -C src -f Makefile.lib serial
 
 	# Build shared library.
 	lmp_emake -C src makeshlib
@@ -127,19 +125,15 @@ src_install() {
 	newlib.so "src/liblammps_serial.so" "liblammps.so"
 	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.
-	doheader -r src/*.h lib/meam/*.mod
 
-	local LAMMPS_POTENTIALS="/usr/share/${PN}/potentials"
+	local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials"
 	insinto "${LAMMPS_POTENTIALS}"
 	doins potentials/*
 	echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps
 	doenvd 99lammps
 
 	if use examples; then
-		local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+		local LAMMPS_EXAMPLES="/usr/share/${PF}/examples"
 		insinto "${LAMMPS_EXAMPLES}"
 		doins -r examples/*
 	fi