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Mon, 29 Jan 2018 02:59:04 +0000 (UTC) From: "Christoph Junghans" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Christoph Junghans" Message-ID: <1517194722.307e866d964377e434e66d5134dde840daa416c3.junghans@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-physics/lammps/Manifest sci-physics/lammps/lammps-20180117.ebuild X-VCS-Directories: sci-physics/lammps/ X-VCS-Committer: junghans X-VCS-Committer-Name: Christoph Junghans X-VCS-Revision: 307e866d964377e434e66d5134dde840daa416c3 X-VCS-Branch: master Date: Mon, 29 Jan 2018 02:59:04 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Archives-Salt: 9170fe46-2d77-4e79-9b16-b09f70d5def0 X-Archives-Hash: 7a955a896ed7b209ff75b12d4b4af359 commit: 307e866d964377e434e66d5134dde840daa416c3 Author: Christoph Junghans gentoo org> AuthorDate: Sat Jan 27 03:07:16 2018 +0000 Commit: Christoph Junghans gentoo org> CommitDate: Mon Jan 29 02:58:42 2018 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=307e866d sci-physics/lammps: version bump Package-Manager: Portage-2.3.19, Repoman-2.3.6 sci-physics/lammps/Manifest | 1 + sci-physics/lammps/lammps-20180117.ebuild | 131 ++++++++++++++++++++++++++++++ 2 files changed, 132 insertions(+) diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index 4f44c46a59c..66f3eaa1b88 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -18,4 +18,5 @@ 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 diff --git a/sci-physics/lammps/lammps-20180117.ebuild b/sci-physics/lammps/lammps-20180117.ebuild new file mode 100644 index 00000000000..1f8951205bb --- /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 +}