sci-physics/lammps-20131123: Version bump.

Package-Manager: portage-2.2.7

3 files changed, 121 insertions, 0 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 17335b174..d48b682c5 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -2,6 +2,11 @@
 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*lammps-20131123 (22 Nov 2013)
+
+  22 Nov 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20131123.ebuild:
+  sci-physics/lammps-20131123: Version bump.
+
 *lammps-20131111 (11 Nov 2013)
 
   11 Nov 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20131111.ebuild:
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 9b47fffed..2cf4032d8 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,6 +1,7 @@
 DIST lammps-11Nov13.tar.gz 57121119 SHA256 911035f4a428b4abfe744239fd54660a8caefcf70bc5abea820ff6c4baec9ad9 SHA512 7fa1d20834c2b58277c54ec36b286099eb29728f73a28c596285eed37c7ca0f1dfe22460eb49000d3586c88c00a0051cf73c35f718b1cd9fd1bb41aabe710021 WHIRLPOOL c79b4be1cc7dd8d038d9b4e523ec71229122de9b9d0f98d93e6255896f8f5b68dd38f5264146f22d206dee32ed5a972a881b9160f0a3b52b053613582aecf38b
 DIST lammps-16Aug13.tar.gz 48337879 SHA256 740d35046961df7ea2dd39e2b7a28e5ff1414f283ac9f568986bd1f2b8b036d9 SHA512 1e56751b94e2af8487c77066846cad7e3a98b7f990a90db9b57e32dc8e3c0a4b9be3431a92f393962fb703ce4957c1d2580545e27549e47a3207e88ec158aa8d WHIRLPOOL d3d442d1d7e9e0267de2a637fd44c87df6dc8eaad61de28cc1aa75d93b49b7877c1de21df251fc8d812e36391f2c5d5e7a75b4b349e6749e9efb9b5266edeb77
 DIST lammps-17Sep13.tar.gz 49985563 SHA256 607f6bfadd644bfa8403af1f38d28b4b36bc8d2fe50f09514c7fa13c2d180cbb SHA512 fb303d26846ea3cf42cd6fae2a641989b1debd5c3c4482f006293cb9ace91040faf7bfdc9fbb7c99934414fbeb8b85899c7ff8ce7239a0c3d698a0e1187ae3c6 WHIRLPOOL bd1e308845880831d404447b88784a769c18c472cd22463b949e22a6444de0ffe7826ed2ffc238d909429e2b58c024d368f2c7ee870bda41172958cff840b394
+DIST lammps-23Nov13.tar.gz 57113682 SHA256 2291e26b7bc3e640f1fbd9ffebbaa2173b665fa9d3757b1eb2aa73bc7837876c SHA512 68758c58f6b8f3b554cad18e610da06875e4abfd0ddb9d85da079ccc52f8d1fce5b3447d9b7c7c607a2e887b2d71af04f221bbe96e13d4276702054338537a2a WHIRLPOOL b9aab585fd735e31beb59c5f1ce1187da8d4235aefbc1a83e89b410f79299c39f37d9157cc3549a139f9746d7b22cf2b2277609c0d675fee6cc35e67ca0c026e
 DIST lammps-23Sep13.tar.gz 50063308 SHA256 0d8c575dc137a67865bbfc408f60dd7d3c74371c48d5f64f884dcfa02501a6d4 SHA512 0ffa44fe9e2ad3d16b0c23699e3a9c114c7731f49b5b7b561fda2f811c57bc273ad236cb9a091eb9bcf98324ee6451689c769cfc418046af0024862f99f81e17 WHIRLPOOL aa3c23c95071594453d585596d8cac0ecd5909a342143fdee78f9d97e205c32faa0705b6341028529bf8347c55f5f5f8e74f408010545e1154e6375e4566c7f6
 DIST lammps-30Aug13.tar.gz 48632345 SHA256 8d20ab00412feda5c9869de0188c52fb77f1faa51b317f09706eff35e651d961 SHA512 9722a3a4a7adc3387014650bd5a3ed18f3081065791507d0c39227a394f375f10a8ffbb5510fac24fcc6e84a40b98c0ad21d576969824284e65be94c445e5a24 WHIRLPOOL 50c6f4aed0ef21aa9078eb16ea15f6d6a89bc24316a40183ac993fbf3fecca2c55a5bcf1715cfbecff24ea07e96c55ba082679b11926c50f6ac2da2ec17547e4
 DIST lammps-30Sep13.tar.gz 50062591 SHA256 a39df3b158e1cc587e5f25e2aba6c3dd4696d90a30e1067b17bf64a9ebcc5795 SHA512 f6caf05d19bff3b2bf39cda55ca85966b09cf2f0a6bdbe60c4c9daa8caf13e409270db9a37e6d28267b35b5f262cdb8ae2e36095f9c942515368d9e6d8c5020b WHIRLPOOL 60236db937618d15e9b61f7aeeeecfe8273b17ff9798c91790d9a31a7578c17bb6dfcd72bbaed861f16d7df07a18348adfadf4ac5fcb8ebe32c9fa966b6c73b1
diff --git a/sci-physics/lammps/lammps-20131123.ebuild b/sci-physics/lammps/lammps-20131123.ebuild
new file mode 100644
index 000000000..9ef5cddc2
--- /dev/null
+++ b/sci-physics/lammps/lammps-20131123.ebuild
@@ -0,0 +1,115 @@
+# Copyright 1999-2013 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $
+
+EAPI=5
+
+FORTRAN_NEEDED="package-meam"
+
+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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
+
+DEPEND="mpi? ( virtual/mpi )"
+RDEPEND="${DEPEND}"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+	local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+	LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
+
+	# Note: 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') \
+		"$@"
+}
+
+src_compile() {
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src stubs
+
+	# Build optional packages.
+	if use package-meam; then
+		lmp_emake -C src yes-meam
+		lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	fi
+	use package-dipole && emake -C src yes-dipole
+	use package-rigid && emake -C src yes-rigid
+
+	# Compile.
+	lmp_emake -C src serial
+}
+
+src_install() {
+	newbin "src/lmp_serial" "lmp"
+
+	local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials"
+	insinto "${LAMMPS_POTENTIALS}"
+	doins potentials/*
+	echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps
+	doenvd 99lammps
+
+	if use examples; then
+		local LAMMPS_EXAMPLES="/usr/share/${PF}/examples"
+		elog "The examples can be found in ${LAMMPS_EXAMPLES}"
+		insinto "${LAMMPS_EXAMPLES}"
+		doins -r examples/*
+	fi
+
+	dodoc README
+	if use doc; then
+		dodoc doc/Manual.pdf
+		dohtml -r doc/*
+	fi
+}