From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by finch.gentoo.org (Postfix) with ESMTPS id EE62C1382C5 for ; Tue, 13 Apr 2021 19:12:13 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 118B9E0AE2; Tue, 13 Apr 2021 19:12:13 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [IPv6:2001:470:ea4a:1:5054:ff:fec7:86e4]) (using TLSv1.2 with cipher ECDHE-RSA-AES128-GCM-SHA256 (128/128 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id BEE17E0AE2 for ; Tue, 13 Apr 2021 19:12:12 +0000 (UTC) Received: from oystercatcher.gentoo.org (oystercatcher.gentoo.org [148.251.78.52]) (using TLSv1.2 with cipher ECDHE-RSA-AES128-GCM-SHA256 (128/128 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 55B6633BF51 for ; Tue, 13 Apr 2021 19:12:11 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id AED454A5 for ; Tue, 13 Apr 2021 19:12:09 +0000 (UTC) From: "Nicolas Bock" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Nicolas Bock" Message-ID: <1618341107.5fd25e7e29bc484b8cbfd4e8c147f14ac1492985.nicolasbock@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-physics/lammps/lammps-20200303-r1.ebuild X-VCS-Directories: sci-physics/lammps/ X-VCS-Committer: nicolasbock X-VCS-Committer-Name: Nicolas Bock X-VCS-Revision: 5fd25e7e29bc484b8cbfd4e8c147f14ac1492985 X-VCS-Branch: master Date: Tue, 13 Apr 2021 19:12:09 +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: ab4851be-885a-4185-be04-105d9b72e59a X-Archives-Hash: 8da037b54bce5d43d74f3d72efb11471 commit: 5fd25e7e29bc484b8cbfd4e8c147f14ac1492985 Author: Nicolas Bock gentoo org> AuthorDate: Tue Apr 13 18:52:18 2021 +0000 Commit: Nicolas Bock gentoo org> CommitDate: Tue Apr 13 19:11:47 2021 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5fd25e7e Update lammps ebuild - Update EAPI to 7 - Migrate to `cmake` eclass - Add support for Python 3.8 Closes: https://github.com/gentoo/gentoo/pull/20369 Signed-off-by: Nicolas Bock gentoo.org> sci-physics/lammps/lammps-20200303-r1.ebuild | 134 +++++++++++++++++++++++++++ 1 file changed, 134 insertions(+) diff --git a/sci-physics/lammps/lammps-20200303-r1.ebuild b/sci-physics/lammps/lammps-20200303-r1.ebuild new file mode 100644 index 00000000000..9d05fe4aa87 --- /dev/null +++ b/sci-physics/lammps/lammps-20200303-r1.ebuild @@ -0,0 +1,134 @@ +# Copyright 1999-2021 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +PYTHON_COMPAT=( python3_{6,7,8} ) +CMAKE_MAKEFILE_GENERATOR=emake + +inherit cmake 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="stable_$((10#${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/" +SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz + test? ( https://github.com/lammps/lammps-testing/archive/${MY_PV}.tar.gz -> ${PN}-testing-${MY_PV}.tar.gz )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test" +RESTRICT="!test? ( test )" + +DEPEND=" + app-arch/gzip + media-libs/libpng:0 + sys-libs/zlib + mpi? ( + virtual/mpi + sci-libs/hdf5[mpi] + ) + python? ( ${PYTHON_DEPS} ) + sci-libs/voro++ + virtual/blas + virtual/lapack + sci-libs/fftw:3.0 + netcdf? ( sci-libs/netcdf ) + cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) + kokkos? ( =dev-cpp/kokkos-3.0* ) + dev-cpp/eigen:3 + " +RDEPEND="${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 "${WORKDIR}"/lammps-testing-*) + -DPKG_ASPHERE=ON + -DPKG_BODY=ON + -DPKG_CLASS2=ON + -DPKG_COLLOID=ON + -DPKG_COMPRESS=ON + -DPKG_CORESHELL=ON + -DPKG_DIPOLE=ON + -DPKG_GRANULAR=ON + -DPKG_KSPACE=ON + -DFFT=FFTW3 + -DPKG_KOKKOS=$(usex kokkos) + $(use kokkos && echo -DEXTERNAL_KOKKOS=ON) + -DPKG_MANYBODY=ON + -DPKG_MC=ON + -DPKG_MEAM=ON + -DPKG_MISC=ON + -DPKG_MOLECULE=ON + -DPKG_PERI=ON + -DPKG_QEQ=ON + -DPKG_REAX=ON + -DPKG_REPLICA=ON + -DPKG_RIGID=ON + -DPKG_SHOCK=ON + -DPKG_SNAP=ON + -DPKG_SRD=ON + -DPKG_PYTHON=ON + -DPKG_MPIIO=$(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=$(usex netcdf) + -DPKG_USER-PHONON=ON + -DPKG_USER-QTB=ON + -DPKG_USER-REAXC=ON + -DPKG_USER-SMD=ON + -DPKG_USER-SMTBQ=ON + -DPKG_USER-SPH=ON + -DPKG_USER-TALLY=ON + ) + cmake_src_configure +} + +src_install() { + cmake_src_install + + # Install python script. + use python && python_foreach_impl python_domodule "${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 +}