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# Copyright 1999-2026 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
PYTHON_COMPAT=( python3_{13..14} )
inherit cmake cuda python-single-r1 savedconfig
DESCRIPTION="Extensible Simulation Package for Research on Soft matter"
HOMEPAGE="https://espressomd.org"
if [[ ${PV} = 9999 ]]; then
EGIT_REPO_URI="https://github.com/${PN}md/${PN}.git"
EGIT_BRANCH="python"
inherit git-r3
else
SRC_URI="https://github.com/${PN}md/${PN}/releases/download/${PV}/${P}.tar.gz"
KEYWORDS="~amd64 ~x86"
S="${WORKDIR}/${PN}"
fi
LICENSE="GPL-3"
SLOT="0"
IUSE="cuda doc examples +fftw +hdf5 test"
RESTRICT="!test? ( test )"
REQUIRED_USE="
${PYTHON_REQUIRED_USE}"
# cmake built hdf5 fails to detect, -r1 switched to cmake
RDEPEND="
${PYTHON_DEPS}
$(python_gen_cond_dep '
>=dev-python/cython-0.26.1[${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
')
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
dev-libs/boost:=[mpi]
hdf5? ( <sci-libs/hdf5-1.14.6-r1:=[mpi] )
"
DEPEND="${RDEPEND}
doc? (
app-text/doxygen[dot]
dev-texlive/texlive-latexextra
virtual/latex-base
)
test? (
$(python_gen_cond_dep '
dev-python/scipy[${PYTHON_USEDEP}]
')
)
"
DOCS=( AUTHORS NEWS Readme.md ChangeLog )
PATCHES=(
"${FILESDIR}"/${P}-test-deps-only.patch
)
src_prepare() {
use cuda && cuda_src_prepare
cmake_src_prepare
# allow cython 3.1
sed -i '/Cython/{s/3\.1\.0/4.0/}' CMakeLists.txt || die
# These produce tests that aren't run by "make check", but ctest picks
# them up by default, against upstream's intention.
cd testsuite || die
cmake_comment_add_subdirectory cmake scripts tutorials samples benchmarks
}
src_configure() {
local mycmakeargs=(
-DESPRESSO_BUILD_WITH_CUDA=$(usex cuda)
-DPython_EXECUTABLE="${PYTHON}"
# ignores site-packages dir and replaces with CMAKE_INSTALL_LIBDIR
-DESPRESSO_INSTALL_PYTHON="$(python_get_sitedir)"
-DESPRESSO_BUILD_TESTS=$(usex test)
-DINSTALL_PYPRESSO=OFF
-DESPRESSO_BUILD_WITH_FFTW=$(usex fftw)
-DESPRESSO_BUILD_WITH_HDF5=$(usex hdf5)
)
cmake_src_configure
}
src_compile() {
cmake_src_compile
use doc && cmake_build doxygen
[[ ${PV} = 9999 ]] && use doc && cmake_build ug dg tutorials
}
src_test() {
# testsuite uses exclude_from_all, and lists all targets as deps for their custom rule
cmake_build check
cmake_src_test
}
src_install() {
local i docdir="${S}"
cmake_src_install
python_optimize
insinto /usr/share/${PN}/
doins "${BUILD_DIR}/myconfig-sample.hpp"
save_config "${BUILD_DIR}/src/config/include/config/myconfig-final.hpp"
if use doc; then
dodoc -r "${BUILD_DIR}/doc/doxygen/html"
fi
if use examples; then
insinto "/usr/share/${PN}/examples/python"
doins -r samples/${i}/.
fi
}
pkg_postinst() {
echo
elog "Please read and cite:"
elog "ESPResSo, Comput. Phys. Commun. 174(9) ,704, 2006."
elog "https://dx.doi.org/10.1016/j.cpc.2005.10.005"
echo
elog "If you need more features, change"
elog "/etc/portage/savedconfig/${CATEGORY}/${PF}"
elog "and reemerge with USE=savedconfig"
echo
elog "For a full feature list see:"
elog "/usr/share/${PN}/myconfig-sample.hpp"
echo
}
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