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for ; Thu, 6 Jun 2019 02:08:16 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 23197607 for ; Thu, 6 Jun 2019 02:08:14 +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: <1559786872.8755577391662880596e55760860d7ffe65318a5.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-20190605.ebuild X-VCS-Directories: sci-physics/lammps/ X-VCS-Committer: junghans X-VCS-Committer-Name: Christoph Junghans X-VCS-Revision: 8755577391662880596e55760860d7ffe65318a5 X-VCS-Branch: master Date: Thu, 6 Jun 2019 02:08:14 +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-Auto-Response-Suppress: DR, RN, NRN, OOF, AutoReply X-Archives-Salt: 9fa17850-a8e3-4870-a902-7feccd3f98b4 X-Archives-Hash: 0b02ed73fca1412e82237111cfe35a29 commit: 8755577391662880596e55760860d7ffe65318a5 Author: Christoph Junghans gentoo org> AuthorDate: Thu Jun 6 02:07:24 2019 +0000 Commit: Christoph Junghans gentoo org> CommitDate: Thu Jun 6 02:07:52 2019 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=87555773 sci-physics/lammps: version bump Package-Manager: Portage-2.3.62, Repoman-2.3.11 Signed-off-by: Christoph Junghans gentoo.org> sci-physics/lammps/Manifest | 2 + sci-physics/lammps/lammps-20190605.ebuild | 130 ++++++++++++++++++++++++++++++ 2 files changed, 132 insertions(+) diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index d3c00629fb0..58298d54c4c 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -24,5 +24,7 @@ DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1 DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0 DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146 +DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4 DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a +DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02 diff --git a/sci-physics/lammps/lammps-20190605.ebuild b/sci-physics/lammps/lammps-20190605.ebuild new file mode 100644 index 00000000000..81ec8546eee --- /dev/null +++ b/sci-physics/lammps/lammps-20190605.ebuild @@ -0,0 +1,130 @@ +# Copyright 1999-2019 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=6 + +PYTHON_COMPAT=( python{2_7,3_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="https://lammps.sandia.gov/" +TCOMMIT=827be7af84ca100d394ea1cf6d3bc49f6a8eef92 +SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz + test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.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}/${MY_P}/cmake" + +src_configure() { + local mycmakeargs=( + -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" + -DBUILD_SHARED_LIBS=ON + -DBUILD_MPI=$(usex mpi) + -DBUILD_LIB=ON + -DPKG_GPU=$(usex cuda) + -DGPU_API=CUDA + -DENABLE_TESTING=$(usex test) + -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*) + -DPKG_ASPHERE=ON + -DPKG_BODY=ON + -DPKG_CLASS2=ON + -DPKG_COLLOID=ON + -DPKG_COMPRESS=ON + -DPKG_CORESHELL=ON + -DPKG_DIPOLE=ON + -DPKG_GRANULAR=ON + -DPKG_KSPACE=ON + -DFFT=FFTW3 + -DPKG_MANYBODY=ON + -DPKG_MC=ON + -DPKG_MEAM=ON + -DPKG_MISC=ON + -DPKG_MOLECULE=ON + -DPKG_PERI=ON + -DPKG_QEQ=ON + -DPKG_REAX=ON + -DPKG_REPLICA=ON + -DPKG_RIGID=ON + -DPKG_SHOCK=ON + -DPKG_SNAP=ON + -DPKG_SRD=ON + -DPKG_PYTHON=ON + -DPKG_MPIIO=$(usex mpi) + -DPKG_VORONOI=ON + -DPKG_USER-ATC=ON + -DPKG_USER-AWPMD=ON + -DPKG_USER-CGDNA=ON + -DPKG_USER-CGSDK=ON + -DPKG_USER-COLVARS=ON + -DPKG_USER-DIFFRACTION=ON + -DPKG_USER-DPD=ON + -DPKG_USER-DRUDE=ON + -DPKG_USER-EFF=ON + -DPKG_USER-FEP=ON + -DPKG_USER-H5MD=$(usex mpi) + -DPKG_USER-LB=$(usex mpi) + -DPKG_USER-MANIFOLD=ON + -DPKG_USER-MEAMC=ON + -DPKG_USER-MGPT=ON + -DPKG_USER-MISC=ON + -DPKG_USER-MOLFILE=ON + -DPKG_USER-NETCDF=$(usex netcdf) + -DPKG_USER-PHONON=ON + -DPKG_USER-QTB=ON + -DPKG_USER-REAXC=ON + -DPKG_USER-SMD=ON + -DPKG_USER-SMTBQ=ON + -DPKG_USER-SPH=ON + -DPKG_USER-TALLY=ON + ) + cmake-utils_src_configure +} + +src_install() { + cmake-utils_src_install + + # Install python script. + use python && python_foreach_impl python_domodule "${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 +}