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# Copyright 1999-2024 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=7
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PYTHON_COMPAT=( python3_{9..11} )
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CMAKE_MAKEFILE_GENERATOR="emake"
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inherit cmake cuda python-single-r1 savedconfig
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DESCRIPTION="Extensible Simulation Package for Research on Soft matter"
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HOMEPAGE="https://espressomd.org"
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if [[ ${PV} = 9999 ]]; then
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EGIT_REPO_URI="https://github.com/${PN}md/${PN}.git"
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EGIT_BRANCH="python"
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inherit git-r3
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else
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SRC_URI="https://github.com/${PN}md/${PN}/releases/download/${PV}/${P}.tar.gz"
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KEYWORDS="~amd64 ~x86 ~amd64-linux"
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fi
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S="${WORKDIR}/${PN}"
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LICENSE="GPL-3"
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SLOT="0"
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IUSE="cuda doc examples +fftw +hdf5 test"
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# unittest_decorators not packaged
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RESTRICT="test"
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REQUIRED_USE="
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${PYTHON_REQUIRED_USE}"
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RDEPEND="
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${PYTHON_DEPS}
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$(python_gen_cond_dep '
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>=dev-python/cython-0.26.1[${PYTHON_USEDEP}]
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dev-python/numpy[${PYTHON_USEDEP}]
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')
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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
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fftw? ( sci-libs/fftw:3.0 )
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dev-libs/boost:=[mpi]
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hdf5? ( sci-libs/hdf5:=[mpi] )
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"
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DEPEND="${RDEPEND}
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doc? (
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app-text/doxygen[dot]
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dev-texlive/texlive-latexextra
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virtual/latex-base
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)
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"
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DOCS=( AUTHORS NEWS Readme.md ChangeLog )
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src_prepare() {
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use cuda && cuda_src_prepare
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cmake_src_prepare
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}
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src_configure() {
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local mycmakeargs=(
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-DWITH_CUDA=$(usex cuda)
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-DPYTHON_EXECUTABLE="${PYTHON}"
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-DWITH_TESTS=$(usex test)
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-DINSTALL_PYPRESSO=OFF
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-DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=$(usex !fftw)
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-DWITH_HDF5=$(usex hdf5)
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-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
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-DCMAKE_SKIP_RPATH=YES
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)
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cmake_src_configure
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}
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src_compile() {
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cmake_src_compile
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use doc && cmake_build doxygen
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[[ ${PV} = 9999 ]] && use doc && cmake_build ug dg tutorials
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}
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src_test() {
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LD_PRELOAD="${BUILD_DIR}/src/core/Espresso_core.so" cmake_src_test
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}
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src_install() {
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local i docdir="${S}"
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cmake_src_install
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insinto /usr/share/${PN}/
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doins "${BUILD_DIR}/myconfig-sample.hpp"
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save_config "${BUILD_DIR}/src/config/myconfig-final.hpp"
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if use doc; then
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dodoc -r "${BUILD_DIR}/doc/doxygen/html"
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fi
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if use examples; then
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insinto "/usr/share/${PN}/examples/python"
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doins -r samples/${i}/.
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fi
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}
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pkg_postinst() {
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echo
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elog "Please read and cite:"
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elog "ESPResSo, Comput. Phys. Commun. 174(9) ,704, 2006."
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elog "https://dx.doi.org/10.1016/j.cpc.2005.10.005"
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echo
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elog "If you need more features, change"
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elog "/etc/portage/savedconfig/${CATEGORY}/${PF}"
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elog "and reemerge with USE=savedconfig"
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echo
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elog "For a full feature list see:"
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elog "/usr/share/${PN}/myconfig-sample.hpp"
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echo
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}
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