sci-physics/lammps: Adding new versions.

Package-Manager: portage-2.2.14/cvs/Linux x86_64
Manifest-Sign-Key: 0xAC91CA52

4 files changed, 426 insertions, 13 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 93751cb4ed00..9e8f1d91c917 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,13 @@
 # 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 1.56 2014/12/30 20:47:51 nicolasbock Exp $
+# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.57 2015/01/07 17:34:34 nicolasbock Exp $
+
+*lammps-20150105 (07 Jan 2015)
+*lammps-20150106 (07 Jan 2015)
+
+  07 Jan 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150105.ebuild,
+  +lammps-20150106.ebuild:
+  sci-physics/lammps: Adding new versions.
 
 *lammps-20141222 (30 Dec 2014)
 *lammps-20141217 (30 Dec 2014)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index b29a40d02aa5..8a30fd7c17fa 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,6 +1,3 @@
------BEGIN PGP SIGNED MESSAGE-----
-Hash: SHA256
-
 DIST lammps-11Jul14.tar.gz 64634749 SHA256 05a9af6fae3f27e41ee776fb3c306a07c2f80b953770fa1ccbd36bbbb6991283 SHA512 6951d9af5d1f77f3160ba13ed70bb1ff71d1f8da0716b784b3e3cf010eb8b9ee68ac49befe4602771bbb4a473fd531f07568d922e0bbff97d4193f9e8c0ea793 WHIRLPOOL f1b814171e81898f7138b6116d4bddedfdccc0a956d11184fb64c82722905a28a97420c19b65edef488915ce956479b0ba255767b45f2f70c53e5674ee6e3744
 DIST lammps-14Jun14.tar.gz 64597109 SHA256 cf7d492862c7bbb1865631b8abce34ea8b5edac17a573c8924c4f9b885fccac3 SHA512 fb0d5d58c1abd402d0aa311156f023af9579793b6606f5c449f5bf0b298dc77a0c68198dc2898d9d8f0f84b24bd84fec3d60b1549d60446152b9e18d5f217608 WHIRLPOOL 7336cb8f57aa856ae7b8ca77bbdfb78df9c2a4fd229f58884c302e88dd75aa53c567c22fbdc8c87af032df264dbdd222d23143b23ba5a84dd8e94f5a7a260838
 DIST lammps-15Aug14.tar.gz 65114807 SHA256 de4ad0c90c43c234fb5c4efa179122acdecb5dba6834ec6e42fa7a237ae767c0 SHA512 af61d517ae707ce53f670ec924bb8a55b6e1c2ed67c5343e84696116c2f9d0f716ac5841618600b466462b68fb24e0129e41febbeddd87c68d7672547de3fa9e WHIRLPOOL 0658cdcda382693278b1dc029a59e5fbdda0c4bae43183799486c8c1d85989e509ed7eee9574a862d2fbcb7f533cb718a5f08a23dd4371c41c96296dd7ecc586
@@ -15,9 +12,11 @@ DIST lammps-25Sep14.tar.gz 65394390 SHA256 bb1fecc9f66f2cd2ca235058edaff135250a5
 DIST lammps-26Nov14.tar.gz 61445197 SHA256 c3d577ec0be132a0f4b3f22f51bcefe6184d42e1ad4e12983d15528fde4298f9 SHA512 78d6ae2d241931dcc8aa6f268f7fdf105361565f9d5d64234ba8505dc8a4f465ef5ba91cb5145448b1aec7820a5fc884de62145e1b2ae99caf81bd148f009902 WHIRLPOOL c9ca16efe1ad1f892e8d92cd74b51e25c666590e4f4f6d48a87a1626e8ad5f2f01a30584bff74c74e2415cd7a7fade059438319514b05f0098784d23fb362afb
 DIST lammps-28Jun14.tar.gz 64598325 SHA256 3dc8f415f076c5b1563e25c06ddf360a7234c0b3428c561764a13618f80fb233 SHA512 568a00249dd88d0ad94714d2b388855376d020a34b546f9f54142b761e95515c1fce44bbbc9db2538a5a9b8335b8ac9e2905b875e954da18831087a3021df0e2 WHIRLPOOL 9d283de197c6e7216c60ed3f34bcd0a55baab925ab4d025717f1bee8a7e8b668c67bf008a9a9a807361c8f5ade36e362afdf7ac9ef6c3ed6d856389591483354
 DIST lammps-30Oct14.tar.gz 59386701 SHA256 b99522370cb2ea3e55c63f401b2bafb0c98f6b28b9af76fb8339e9bd4a3ae205 SHA512 9b9952ec098c17abd9af085d546869a60ba421a380abcd0be3c425e3c1495394417bfee8d8097c99f54131e286a325d736e766e1ae7239bf45ca44c737611c2c WHIRLPOOL b8ad0078b883455cd7e8f06c0ad8f43eefe7d1c158af58baa42ad179154f09f68077d8fb31c22abccedf06daa344e4abb7f3edcc16d9e69e9d2c458f4fda1085
+DIST lammps-5Jan15.tar.gz 61852386 SHA256 0283c06904cec23c1577fd28686be8c61ac7e72ea76bfb8aa7135aba98e13b51 SHA512 4c6dd1b18b25b22f943f6dc439e5cf1d7583cd044b23c423a525457ead47d0b33ab9f9f07ef7a2c1930e7677d78b8b542d47599fa2b19082dbe600188056fef1 WHIRLPOOL b55e802377e08dab8e0cd7b501be0479570b73ddb7c01206b043fd1bb3b27b9c651cfc955885ecfd66cad1881fd03ce4bae40606c09416c7f73a2ab23b05a567
 DIST lammps-5Nov14.tar.gz 58736468 SHA256 18851282c8eec5e99559c4e1fa6673bc49dd8da6091ea61bfe136e1bd1369d2f SHA512 87624cb0bb44a702a416fc763d58017d1ef540d292c7d7c34dad3641950182bf6a173e5fa16d2aa3cdcc42ed34426265d243a7cf50771769fd0a1099873be69e WHIRLPOOL 5c3364017fcc3552ac58f6644bfe4a1d9a3511cbd8afceefb20838d1805f8f421495e1b35942e1055a440c74dae5eb4155e4db2eb759f0edd2af2941497ee5c7
 DIST lammps-5Sep14.tar.gz 66049751 SHA256 e05d5287752a32e3e7fb34f51b080c5f72ee12bf9d453b6098d6998673483f14 SHA512 4fc33c58d7ce4c3776109ed565b5df0b1748156b0f9f1acdb66db9cf17c8fb8717c151eebd5267a0c2adb2ff648ba327c4cdec91c5ce53d361c7d7c8329db516 WHIRLPOOL b961a2d7d9c242ebf20be8a7d735a39bdc2fb5e6af18ad51da759f4bc2a9a9077ca8ed4da424ee4162a7d433eebc0564a26f186e81a96c0d4284b60c89bed965
 DIST lammps-6Aug14.tar.gz 64806245 SHA256 844fa61c95b8bc5ae3bfdf225dfc3d562d8750d1c7b1f1601379e94c4176a682 SHA512 220113eea7f550c15a46f87e5aac2583477bbdb1faf535a221ef36cc0d0b159ebad23e0d9186e5bc9988ccc73c70e2e6af3ca719c982fdc58cf81e1cbf6c4f3a WHIRLPOOL 12fc8180bb16e612af2640f9c1b16911f3ca55ba233b2eec8cbae2c689d397d8ef52177a4bbc6388d0da18202c3795c9b8b3aa8dc4ac935e05204dc825f0dac4
+DIST lammps-6Jan15.tar.gz 61856773 SHA256 8a46420d189e071c0019b2f14594d32026816bd9da269c1733932b75a98a52ff SHA512 a6a54cc5f78414e92977b6cb77076ef23b31e1ca6ed4129ba286d403b41aee6217a0136ba5f35a0f20baa15976c61f75abec840179173411bf6f4f314e06d389 WHIRLPOOL 133ea1ad548a3803074248281c3dcff874f59b712fa59bf7fb92d21559608123caaef3811ce8191519ffe08dc89f5eb5dbcdd1a8341cfad1b1558e8700c6606e
 DIST lammps-8Aug14.tar.gz 65050504 SHA256 f7324db760b39f64ff926d1c4b034cd8d122f31e368d939ad39ccba2c33c4585 SHA512 8dc2f6adc0ff5cd7f53801728b1b078c289bb9e40a16bcd3fb0252b159c6e51705f61f264a004cebca53c57d1073e74c6fc633f3c442a12a14e4b1eb6715abea WHIRLPOOL d700b504c91c7744447a84c48abc1b4015ec67ff1c6fb5d85d6504395a1cdadc9d4dd0cd777a6b14cfc0c0c8f0685286f92e2d68b2ff2ee85a37db4626bd43f7
 DIST lammps-9Dec14.tar.gz 61465046 SHA256 01724976608413e049d197a12b8608321220a9a15a7c3d7706babd1ab9e21de1 SHA512 30ae88f930bea43adbbe217cf6b4d9f257d16f707f95d60e6a07358b0633578dae767fd348f656061e10d9783fff2a59118bbf902569bd70bb77f682fd7fd666 WHIRLPOOL 5cccbe3da9e00316c660d721ece7fa0d208edbf3c94845c06d15d08f5e5852cc11919aae78fcb02f7f9109e5e478f2d52c299dc20be3877cb378e636701c0579
 EBUILD lammps-20140201.ebuild 2467 SHA256 dabebb7bbd33a22023f218fea5331d68b2eba0666712dd080b13bfa630c4529c SHA512 944ce71a43d978909c5c0b129072cf7532cb10db4c5e6ac24cfbf85afcecac4ca9bbfafe4e147fc429c94aeecd7b4765a821c1a538267b75a045ffa1f41ebd39 WHIRLPOOL 113ebc1905299fdae5b6b5f4f57fd862e920ead05afd4f5850e341b6266f9a1a14a79d7f627d6915454b748960718ee08bfb84eea0ee1f03ec21fc28f8e73bd3
@@ -40,12 +39,7 @@ EBUILD lammps-20141209.ebuild 4955 SHA256 adc05bc66b73d56f83e0778c37055fce2f1eec
 EBUILD lammps-20141217.ebuild 4955 SHA256 a87222b95f037d57f427fdb84ed06cab1a738e10f499a5c00efb7676fca50bdd SHA512 ee02bcb295b511ccd5c35721deeb192ebc91df31f0b8ad2d2197bc7a4cf4b3ef0ab6b17c52a836597376a8b338b5c333ea3ada344172d56dd1da4c9fb9d7cc4e WHIRLPOOL da96f5c29da8ea906533dfe9e8ac34d0ae6456257a6ce81c34682a6d5a449f3571df3357fec1393761ad746e4614f057439a000a9dc3e9a4a0976cd14a1678f9
 EBUILD lammps-20141219.ebuild 4955 SHA256 343767488635502402ec6f44b069e4f2b9746ff2b61bf1a6051b0e6a6999fb41 SHA512 d3942096585412b187b329e637e8c8cbcf500fb699020db08598820f23cfe2da43de699385adcf572f23d0e2deff6849c2e8e828095517d67ef01e5958805c1c WHIRLPOOL 8f294badfe45061d90f4e1223b5d04d6991092a1e55ed26e74d426488ad9dbcdd326e0758450727c534efffcfb6265c0b605abddec59a0a72df681e63d0f2911
 EBUILD lammps-20141222.ebuild 4955 SHA256 785ee74c02bc925d3ec6413b1c44b9a4794ebc6c8adc8e4aa83157dec1b940ec SHA512 303427ce5bea454843e4be72db7fab7f1909e787e7e287a47d31049ed22a3119661cc1102e40bc2a0e017f920f67e828a3c8423abfb2fe4c1c16dc14931cd52c WHIRLPOOL 476ee1bb71e8dbd7692365d7789ebff9e8131cb41b47527d4b53c9ce331b3e2794d64335e5b93b861a610c3dd2c1d1cd6b595aee4bcd676187caa3d75677b2ac
-MISC ChangeLog 9744 SHA256 b6b31e66c933e1c4f96eb383414ab7fa8148cea18a9766b63ded22c2e6304d47 SHA512 54b905bed63216b30d278964e16c95a9fa064910b87d214e12f6e0db03ed78af62e6bc92473cdd6a4469d9ed00cec326472bae64f93b10fb0ca703fbf877a226 WHIRLPOOL 44c993be6fdb064d6cc1f23190080d290b92c4e3ab9f644b3655290e2d01610dce06457d780b2157e570b2512843613cdc08dfe885627d00177250697a69a5d3
+EBUILD lammps-20150105.ebuild 4955 SHA256 bbe69ed6f053edb40b667afb87214ead2b3af45f2232b81eabc8ffa69a2850a2 SHA512 f6f09591353e6bda8b157a2359100a8c35a9c2407ff6e1618d760823047fb44c10d483cd2651959618f4ac865466d2b015379a76bb598a43ad2b716d47903484 WHIRLPOOL 7813c53cee4470ab1380251e3f8934d25377251d8be9beb2c4936ca8c2f222b3281b6a6a6688b83d70adcb929d4edebbfa84273515341f9ac05ee0f82fb05328
+EBUILD lammps-20150106.ebuild 4955 SHA256 81a24c50829270565506bcc75e7ba48887a70c6460766e39581f9b2b52d159f0 SHA512 2de849aefe31545324113e01fcb085188d0f13d17294136615ee814997696e8c72e63db030026cc5abedad2db11c96338fc709a5e1c10df394e0cb64ecca5f9f WHIRLPOOL 248b2773d1613e78342b4ef08224222ef0273752cd0aba90cb336fe76c65a2426709e1a32f4b21c0b5893e63a73a6d101d5f266505a67caf3d49ba07389a1a43
+MISC ChangeLog 9956 SHA256 e73c2865b02c052eadaac2f7f7660e482bed134635f5f61dd4785504609689de SHA512 390b1f59fefe283aec02f76660d1ab99dc7f0ab854d0dd0f4b0659c1513e1df72642f942471b9bee0a1565ec0b27ebe7569056d4f30109b96ec499b75a2c31ab WHIRLPOOL 74f9c0d37e989b5da43261bf223cd3e5a84174e361f7bf2609cd934f96847fe65a536bc0ef6110f8effdc9fc5e25a7311429b1b16f91c77ce56581ff7e643447
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150105.ebuild b/sci-physics/lammps/lammps-20150105.ebuild
new file mode 100644
index 000000000000..d164fcb95b6b
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150105.ebuild
@@ -0,0 +1,206 @@
+# 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-20150105.ebuild,v 1.1 2015/01/07 17:34:34 nicolasbock Exp $
+
+EAPI=5
+
+inherit eutils flag-o-matic 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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static-libs"
+
+DEPEND="
+	mpi? (
+		virtual/blas
+		virtual/lapack
+		virtual/mpi
+	)
+	sci-libs/voro++
+	"
+RDEPEND="${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') \
+		user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+		"$@"
+}
+
+src_prepare() {
+	# Fix inconsistent use of SHFLAGS.
+	sed -i \
+		-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+		-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+		src/VORONOI/Makefile.lammps || die
+
+	# Fix missing .so name.
+	sed -i \
+		-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+		src/MAKE/Makefile.serial || die
+
+	# Fix makefile in tools.
+	sed -i \
+		-e 's:g++:$(CXX) $(CXXFLAGS):' \
+		-e 's:gcc:$(CC) $(CCFLAGS):' \
+		-e 's:ifort:$(FC) $(FCFLAGS):' \
+		tools/Makefile || die
+}
+
+src_compile() {
+	# Prepare compiler flags.
+	append-cxxflags -fPIC -I../../src
+	append-fflags -fPIC
+
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src stubs
+
+	# Build packages
+	emake -C src yes-asphere
+	emake -C src yes-body
+	emake -C src yes-class2
+	emake -C src yes-colloid
+	emake -C src yes-dipole
+	emake -C src yes-fld
+	#emake -C src yes-gpu
+	emake -C src yes-granular
+	# Need OpenKIM external dependency.
+	#emake -C src yes-kim
+	# Need Kokkos external dependency.
+	#emake -C src yes-kokkos
+	emake -C src yes-kspace
+	emake -C src yes-manybody
+	emake -C src yes-mc
+	lmp_emake -C src yes-meam
+	lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	emake -C src yes-misc
+	emake -C src yes-molecule
+	#emake -C src yes-mpiio
+	emake -C src yes-opt
+	emake -C src yes-peri
+	emake -C src yes-poems
+	lmp_emake -C lib/poems -f Makefile.g++
+	emake -C src yes-reax
+	lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+	emake -C src yes-replica
+	emake -C src yes-rigid
+	emake -C src yes-shock
+	emake -C src yes-snap
+	emake -C src yes-srd
+	emake -C src yes-voronoi
+	emake -C src yes-xtc
+
+	emake -C src yes-user-eff
+	emake -C src yes-user-fep
+	use mpi && emake -C src yes-user-lb
+	emake -C src yes-user-phonon
+	emake -C src yes-user-sph
+
+	if use mpi; then
+		emake -C src yes-user-atc
+		lmp_emake -C lib/atc -f Makefile.g++
+	fi
+
+	if use static-libs; then
+		# Build static library.
+		lmp_emake -C src makelib
+		lmp_emake -C src -f Makefile.lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src makeshlib
+	lmp_emake -C src -f Makefile.shlib serial
+
+	# Compile main executable.
+	lmp_emake -C src serial
+
+	# Compile tools.
+	emake -C tools binary2txt chain micelle2d data2xmovie
+}
+
+src_install() {
+	use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+	newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+	dosym liblammps.so.0.0.0 /usr/$(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
+}
diff --git a/sci-physics/lammps/lammps-20150106.ebuild b/sci-physics/lammps/lammps-20150106.ebuild
new file mode 100644
index 000000000000..a71330cfe2d1
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150106.ebuild
@@ -0,0 +1,206 @@
+# 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-20150106.ebuild,v 1.1 2015/01/07 17:34:34 nicolasbock Exp $
+
+EAPI=5
+
+inherit eutils flag-o-matic 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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static-libs"
+
+DEPEND="
+	mpi? (
+		virtual/blas
+		virtual/lapack
+		virtual/mpi
+	)
+	sci-libs/voro++
+	"
+RDEPEND="${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') \
+		user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+		"$@"
+}
+
+src_prepare() {
+	# Fix inconsistent use of SHFLAGS.
+	sed -i \
+		-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+		-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+		src/VORONOI/Makefile.lammps || die
+
+	# Fix missing .so name.
+	sed -i \
+		-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+		src/MAKE/Makefile.serial || die
+
+	# Fix makefile in tools.
+	sed -i \
+		-e 's:g++:$(CXX) $(CXXFLAGS):' \
+		-e 's:gcc:$(CC) $(CCFLAGS):' \
+		-e 's:ifort:$(FC) $(FCFLAGS):' \
+		tools/Makefile || die
+}
+
+src_compile() {
+	# Prepare compiler flags.
+	append-cxxflags -fPIC -I../../src
+	append-fflags -fPIC
+
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src stubs
+
+	# Build packages
+	emake -C src yes-asphere
+	emake -C src yes-body
+	emake -C src yes-class2
+	emake -C src yes-colloid
+	emake -C src yes-dipole
+	emake -C src yes-fld
+	#emake -C src yes-gpu
+	emake -C src yes-granular
+	# Need OpenKIM external dependency.
+	#emake -C src yes-kim
+	# Need Kokkos external dependency.
+	#emake -C src yes-kokkos
+	emake -C src yes-kspace
+	emake -C src yes-manybody
+	emake -C src yes-mc
+	lmp_emake -C src yes-meam
+	lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	emake -C src yes-misc
+	emake -C src yes-molecule
+	#emake -C src yes-mpiio
+	emake -C src yes-opt
+	emake -C src yes-peri
+	emake -C src yes-poems
+	lmp_emake -C lib/poems -f Makefile.g++
+	emake -C src yes-reax
+	lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+	emake -C src yes-replica
+	emake -C src yes-rigid
+	emake -C src yes-shock
+	emake -C src yes-snap
+	emake -C src yes-srd
+	emake -C src yes-voronoi
+	emake -C src yes-xtc
+
+	emake -C src yes-user-eff
+	emake -C src yes-user-fep
+	use mpi && emake -C src yes-user-lb
+	emake -C src yes-user-phonon
+	emake -C src yes-user-sph
+
+	if use mpi; then
+		emake -C src yes-user-atc
+		lmp_emake -C lib/atc -f Makefile.g++
+	fi
+
+	if use static-libs; then
+		# Build static library.
+		lmp_emake -C src makelib
+		lmp_emake -C src -f Makefile.lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src makeshlib
+	lmp_emake -C src -f Makefile.shlib serial
+
+	# Compile main executable.
+	lmp_emake -C src serial
+
+	# Compile tools.
+	emake -C tools binary2txt chain micelle2d data2xmovie
+}
+
+src_install() {
+	use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+	newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+	dosym liblammps.so.0.0.0 /usr/$(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
+}