gentoo resync : 31.01.2018

3 files changed, 133 insertions, 0 deletions

diff --git a/sci-physics/Manifest.gz b/sci-physics/Manifest.gz
index 69f6459e5505..e88bca01ea14 100644
--- a/sci-physics/Manifest.gz
+++ b/sci-physics/Manifest.gz
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 093d4f1e2d08..4adf466fd47a 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -24,6 +24,7 @@ DIST lammps-7Dec15.tar.gz 82168656 BLAKE2B c32a2f543ba5c9eaa96486f169228b4748d08
 DIST lammps-8Dec15.tar.gz 90700099 BLAKE2B 04dcc39e9fb47e4033ba41eee7455d503c9c9616a11a2d8881948a2708bdde6c502ef1b7ab912c027c390bb40b927714de3fba91afdced0f26dfc0fa86775ed3 SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497
 DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733ded5befe67404f03ed48c8191dbf640992b978f8fabcfb6936c876bf0e756aee68b4a50542dfc9c28f5d448846717 SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c
 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
 EBUILD lammps-20150210.ebuild 4832 BLAKE2B f857d2e0e82c2e5b05fe89c62fda44b917d8be0a184171235eadee85c97699de5d4f22a1ea20c12a5523702ab376df9c80d486a7751cd3fbc9527a6954e59026 SHA512 fbbfd6768d9ee99f49aea6abb030486a7f80c4aad95412407031499681a2a36997c31cb4873e0ab867425678b952a44284129accde9abe60c1bfb891c38d2dfa
 EBUILD lammps-20150515-r1.ebuild 6708 BLAKE2B 88d66db586b1900c8dfb039c305fe14ee9a0b1dfb231a8613e77689a22e429144621f45cb9e91adaa34e2dabd9ea8c11e4f49f60854c328f0c02fb9209ac5f4f SHA512 72c53dcd1cade6756010065353742f75eae95a4178e133509dae09233007491c52c3c5bfa3f98243a8d32066c0320c1726d99e1bf06c6e2e1ff16fbe2592d75b
@@ -48,4 +49,5 @@ EBUILD lammps-20170109.ebuild 6065 BLAKE2B ecb484c1acdc623ccfaa3c156c46a75b43f54
 EBUILD lammps-20170706.ebuild 6029 BLAKE2B 5a054b176d72e106972da77d412830ae24378165208643f1de770ffaba0567cbb1337bb02d2222f0db09304c3a6494d3e90153f7cd6db85713e67666c7a2cf47 SHA512 1d2ec7049133298285399a61a7be362bd76f003dbe237a7c60e634b8a88ddd38829c05fef1f8da9bd38278051d807c72239317cffd36c87fa7e1d39845132049
 EBUILD lammps-20170901-r1.ebuild 3040 BLAKE2B e42773dc4fb72164b616788e6d39885708acae9b89e5933bcb26f6a91350ab6528abfd0870059bc3576b7745b48de1166b63180f5a01c23509966ff602dde0a0 SHA512 33e4171aade9ae9da8f9e050aa675faed0ed77989e5862995e0a18df52fff1b416343cc2209a09b48f3d0d37ec935fd5ae1e5a966667010383b7f1a04697a8df
 EBUILD lammps-20170901.ebuild 3008 BLAKE2B db21f6df81e82bca23b32df40a08d214a55d60805a94bebf911d0123cc70be83760564b444028a7fdb30dd2ca0b54010dfd54eb644cac970b067f0f9d1445d24 SHA512 766c140ce1e0889ec3b88c65047cec54668058ca53f0e3dc61312cedb716beeb402328632dcab4c32aaaeca8af7f733d03cec60fe9a0f342d1f0ae0eb50d6ad4
+EBUILD lammps-20180117.ebuild 3040 BLAKE2B 74b48a09ab862dc1fb0d7b1fc927b16250926d7b528d1d36a8cbe1fb3ce1fd58522355bb7559f7a4ae999b5748d0b66e2982c218a8acd40435243825d6a07cc2 SHA512 6965f3a6102e86b375482a35061ffbd6d1b3ee2bd7e8023f66c639af9630e29face9be627196cb0658e28b9b09a19f55b5bd62688370a8f01cc78152b5952b80
 MISC metadata.xml 1338 BLAKE2B 553629a0b3221db88a37cd6b0bfa806da9265caf2df038736211351a87ac34af5a98f0e7f3e34246d814a378cd64b1ed82d69f4c26e18c3a7700441f8be6fa2d SHA512 b3556e8444b4cb42d1fa80cc8735e11e07cd2928af67104d4518b874e167d5755840c3585e3ffefa88057f84d711cafe0a60405323b4ad6a9546c19d4a5d94bd
diff --git a/sci-physics/lammps/lammps-20180117.ebuild b/sci-physics/lammps/lammps-20180117.ebuild
new file mode 100644
index 000000000000..1f8951205bb4
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180117.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
+}