commit: e070bdb0ed20dfbdba4deedddd1df0c3943f5dd0
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 5 18:10:22 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Mon Mar 5 18:10:42 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e070bdb0
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.19, Repoman-2.3.6
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20180222.ebuild | 131 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 66f3eaa1b88..47c93a0d4db 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -20,3 +20,4 @@ DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B
8b5054b59162b98bf98980a8ece344af733de
DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B
dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194
SHA512
ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B
d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823
SHA512
533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B
013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf
SHA512
01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
+DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B
09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d
SHA512
8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
diff --git a/sci-physics/lammps/lammps-20180222.ebuild
b/sci-physics/lammps/lammps-20180222.ebuild
new file mode 100644
index 00000000000..1f8951205bb
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180222.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/";
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz ->
${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule
"${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
