sci-physics/lammps-20140226: Version bump.

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

3 files changed, 180 insertions, 5 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index a546b12325b3..634bd612aad4 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 1.20 2014/02/27 03:47:31 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.21 2014/03/01 13:21:04 nicolasbock Exp $
+
+*lammps-20140226 (01 Mar 2014)
+
+  01 Mar 2014; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20140226.ebuild:
+  sci-physics/lammps-20140226: Version bump.
 
 *lammps-20140214-r2 (27 Feb 2014)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 2cb92ffe902e..cf5e45813205 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -8,6 +8,7 @@ DIST lammps-17Dec13.tar.gz 57780188 SHA256 857b577b857b12144823249ba010b4d58029b
 DIST lammps-1Dec13.tar.gz 57750078 SHA256 44ef69f31f2066fec31a6b7c9511395c21ead00030d3a5e00efa7eb27e6314d9 SHA512 1c5b0f5e9e2e09243f6ec3ac045021f8506626f8311082fb57314246f25f7ea6bd90dacd3d89db6561d5f0039f6476fd1d9e6d09c57c1bcc63be53ac519aec07 WHIRLPOOL ea3796dbca79f97eb7f9fc5f72972a882357108792f7bb96a8a5e7f3f1614917b452e129143b4e12964e51aeaa80dde6e414ec3f4a89220a3d36d012a829f2d7
 DIST lammps-1Feb14.tar.gz 57811478 SHA256 2d01ca4f2c52c18a9a95866f558b3f3857b22662415cb44fa16a5be4dd5bfe44 SHA512 aa84766d19d7f9f753792d6c3a9ba9b37faa671b4ae06ae89be6d3485a064326c79dc351cb784e6a03f5e4e046885a791274a64899ef117dd395e583eac13f3c WHIRLPOOL 4921525762c5842fe7bb96420db26553bf2ea3d91bfda52d2a9fad57f205487fe772c878d83e5b4ae146507e3a90509a4ff0b5628ebfda9a5dde82b8b3a95b3b
 DIST lammps-22Jan14.tar.gz 57835694 SHA256 207facd4b2721523dc9b79d4b09b3a5d1760272d234fb2dd3ae0b2b512aebfd8 SHA512 416c35415341b77b958a9df1dd4ccffcb25e437a4516f18f1eaae47a43ce99be5dc63cfc7c160d5c7cd3b923f8136dcde254d35e25abab4bb399b71cb64065ee WHIRLPOOL 7a3a099bcd66a6bfd6dbc19b280eb20c8b53c63fd8df5a2f8d3202a38d55cccffbd04c51e79dc8b0360e6d323fa7f7bc82cdc61d286bfb848521b477a0b7072a
+DIST lammps-26Feb14.tar.gz 58551714 SHA256 3dd65b7396d7e30570c6070518cb78d235273acda180f65a939aa6c95c7c1412 SHA512 d8ea6ae308691cd5452265db213146fcac39a0c4139f248575e5eea394ea0c2079936a46636fcea38dcb7d68c9457f58c477fa2ee04264df628ec94a1c3c8182 WHIRLPOOL 68b40a8ddc15bac55b6295d07ef91b63755ec75707aa77d6a8654ff0ab42ad3c862884861cddc8b1cece9fe54aa153b71e9e474368455921e8c39b2d5129f94d
 DIST lammps-29Jan14.tar.gz 57869284 SHA256 37f139d14cc1033f3ce646e33b4f9c86c2aa8b29f015b324183e83727502507d SHA512 451b2293513dbfbfa0bc84e3fe62f0df9a7c0f6c78118044be178c401268eb378d41340f9f8fa45861984766f8b87656e48cc241d462d7bb0556a3e7c634638c WHIRLPOOL 1524a16c63b0de830375ecdc7b3cf88f6ae93614febd675234b2ee1a596cc302f30fdf64d97c59fff9dc06612030bf1d52b59a079dc29c36ea4ef4c55ded75e4
 EBUILD lammps-20131201.ebuild 2474 SHA256 b02851bc4dab628a1b216c38db6d609c33410b29507d0c076a333e2798249779 SHA512 997db7ad97cee244e139b190891af9176ace53540b5967c780165f227451335ffbc34e49ea7e795baf984899caeb9923cbd7ff378083314fe0245c3a694c5342 WHIRLPOOL 2a98f6abb28dd71952753624a58fa632358193b4ae7139f85b2376116c5a5532555f4c487a034e2fb363964881906247f3b0bfa8043aec250ea2d9ede4fad8e6
 EBUILD lammps-20131216.ebuild 2474 SHA256 ad5a4a662738da1e9b74cff9bb399aba66ff63ca1eb5b48aea6f54d42415c34e SHA512 9815342b5368143ed478c90f21fb1648d2698cadcd334391c1685854ffcb76583e7b8c454a4dfdf10a4ead4973baff3facf0f1383e892fd765bde079999246a1 WHIRLPOOL 478fa1c27a81fc69cccbc7f834927a60bfedbbbbf10cd2aa405489f66dfc6d9f4a401a17fcab5f54fd2c3740ed04b969c55cb20f7db8008314580be003aa0433
@@ -19,12 +20,13 @@ EBUILD lammps-20140212.ebuild 3576 SHA256 c456eafcf1392e2c8cffe982cbb9f4d64e574b
 EBUILD lammps-20140214-r1.ebuild 3902 SHA256 a303f544ff66ad713291a7e029773a1d742adf9829f45ff7bd55b01adfda58e2 SHA512 516a37fc7edb448551f1cf039c0982b8b46a0a28ef67b0643ba16d0cb2ccdd43bc3bb2c3cd58cd65ff6f68f9b723e341fc27d51566afced8597503b854215f6a WHIRLPOOL 8bcbafea32a3eaf499d2c64d3df9adabda430a907a22cbdc1feaba2bd7ce17ceb834b917e07c12f7efc63cf3566134cc109abb7323b1c4ba81e91b2112c11337
 EBUILD lammps-20140214-r2.ebuild 4205 SHA256 0cdcaa56a42181b4ae60eee056da07abf1fb828c91e811f7cc76d62474da28c5 SHA512 b8f1608085f6464bb5e3d9217ad8d5481fd4beb797a959c88659b3c57d37d748d4057287b0bac60b4c70ac9a211950f23c21cb5c0eaf8bec37a46d49ec04d509 WHIRLPOOL 002c83b3362d3f971fe3fd263ee270e665d9500dae06689e04b8fdc827f3dc74e15494d99c1b7c594909991f7072b22858fd0adb6b2b5750849ff81231cbcc31
 EBUILD lammps-20140214.ebuild 3369 SHA256 4862cf13a843c6ba8110dfb000f32a4a683e55c11797cd4b7920f8f00da4da3a SHA512 afb853a19d96d75ed613fa03963d4a5e6b0cf98a8b40f05dea0eaff407154b9e1a105bd0056fa576abed6e7b30b95fbddb86f158b26a5a51ff31d4f7e31dec2b WHIRLPOOL 2cea4f815004770fdba5116b828efc51e6de875c7c43daad5c0285308ce80dbda92b44b5fb265a081d1bf2dbabad284484f25b51fbcb1002a177c610101570d9
-MISC ChangeLog 4118 SHA256 790cbd4628fcb555fcba7bd0e7ef07d08a1921a0095f1687bdcdea53ce2b6ef8 SHA512 774db9eb788b42c331da2b8cde10953632fbc20910b764a366d740e33f8d877e2549107c98a380c7d37f6c838946c439dcc9b44ec8f5d4a150071577e3548f83 WHIRLPOOL fc03c853e7735a23282ca16c8e7d12f63a032a360be4c5f8ce9941ae64d1e0234c5c2c8ef3e4892df2906bafd1340cc2a653687bfb931ee5437346d0b25c3b62
+EBUILD lammps-20140226.ebuild 4202 SHA256 ba599d5ddd8bce50b1582096bf2241590ec1734737d8c2d862072d98253deea6 SHA512 b67c141b923f2e5cfba2fce58a78a5122829786fbf1a5b7a1c8b85304e7d380a50034eaf4158b4aa4475a6f38b1fa14567a5de7ca77ae74e78947ab02c2f590c WHIRLPOOL 436c255cbdd927a81d4c94c20449968dc53f995f5930f7c58480aaa28a41f445e0b54e017c711fd17fda6a86ac34e5bae1aaf4ad39306cdaef32ec4b5406032c
+MISC ChangeLog 4274 SHA256 f81ed4310f3df589d0b1ff08c95a9f954f1336ffeb436859eb614cd1106edd92 SHA512 ce94d7aa5639d228c8481b5388213de7cc4dfe39503cd21b1de0638a932af535089c0db266a466061cb937493a13b57e737af4df7cfa49334d27272058e0a1e7 WHIRLPOOL b5e7603c529bd5392b8db921bda813699934851ccd7b170380de3e019cb36a91193840b6b7c85f7ff4cb70139e5d7c2c16c4362263164d04f58cbcdd2ea4cd28
 MISC metadata.xml 1584 SHA256 4d06db7368b155db1484a6c0792a366b37541260e700248ccf542e5fe28ffbc7 SHA512 b0bbd1fdd37e35ccc0cd4d34bb9afa09910b56a14daa078148aefcce4dc13408c1a5d5a40b865a37bc917764f5b91e266256b9ca83e0f8009859d955b68fe6a8 WHIRLPOOL ff65f1a03910b4fa5758d5537d898c733971e5f339dcd8150bc1596dfcf490b4de2be7f520405a47274e1e9827eddc3d8a1324f2f169d575d1e4584dc01e9787
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diff --git a/sci-physics/lammps/lammps-20140226.ebuild b/sci-physics/lammps/lammps-20140226.ebuild
new file mode 100644
index 000000000000..6c6f01c373d1
--- /dev/null
+++ b/sci-physics/lammps/lammps-20140226.ebuild
@@ -0,0 +1,168 @@
+# 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-20140226.ebuild,v 1.1 2014/03/01 13:21:04 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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="doc examples gzip lammps-memalign lammps-package-voronoi mpi static-libs"
+
+DEPEND="
+	mpi? ( virtual/mpi )
+	lammps-package-voronoi? ( sci-libs/voro++ )
+	"
+RDEPEND="${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) $(FCFLAGS):' \
+		tools/Makefile || die
+}
+
+src_compile() {
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src stubs
+
+	# Build packages
+	emake -C src yes-dipole
+	emake -C src yes-kspace
+	emake -C src yes-mc
+	lmp_emake -C src yes-meam
+	lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	emake -C src yes-reax
+	emake -C src yes-replica
+	lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+	emake -C src yes-rigid
+	emake -C src yes-shock
+	emake -C src yes-xtc
+	use lammps-package-voronoi && emake -C src yes-voronoi
+
+	if use static-libs; then
+		# Build static library.
+		lmp_emake -C src makelib
+		lmp_emake -C src -f Makefile.lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src makeshlib
+	lmp_emake -C src -f Makefile.shlib serial
+
+	# Compile main executable.
+	lmp_emake -C src serial
+
+	# Compile tools.
+	emake -C tools binary2txt
+}
+
+src_install() {
+	use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+	newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+	dosym liblammps.so.0.0.0 /usr/$(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
+}