sci-physics/espresso: version bump

Closes: https://bugs.gentoo.org/737416
Package-Manager: Portage-2.3.103, Repoman-2.3.23
Signed-off-by: Christoph Junghans <junghans@gentoo.org>

1 files changed, 117 insertions, 0 deletions

diff --git a/sci-physics/espresso/espresso-4.1.3.ebuild b/sci-physics/espresso/espresso-4.1.3.ebuild
new file mode 100644
index 000000000000..ef5f6578edce
--- /dev/null
+++ b/sci-physics/espresso/espresso-4.1.3.ebuild
@@ -0,0 +1,117 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python3_{6,7,8,9} )
+CMAKE_MAKEFILE_GENERATOR="emake"
+
+inherit cmake python-single-r1 savedconfig
+
+DESCRIPTION="Extensible Simulation Package for Research on Soft matter"
+HOMEPAGE="http://espressomd.org"
+
+if [[ ${PV} = 9999 ]]; then
+	EGIT_REPO_URI="https://github.com/${PN}md/${PN}.git"
+	EGIT_BRANCH="python"
+	inherit git-r3
+	KEYWORDS=""
+else
+	SRC_URI="https://github.com/${PN}md/${PN}/releases/download/${PV}/${P}.tar.gz"
+	KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+fi
+
+LICENSE="GPL-3"
+SLOT="0"
+IUSE="cuda doc examples +fftw +hdf5 test"
+RESTRICT="!test? ( test )"
+
+REQUIRED_USE="
+	${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+	${PYTHON_DEPS}
+	$(python_gen_cond_dep '
+		>=dev-python/cython-0.26.1[${PYTHON_MULTI_USEDEP}]
+		dev-python/numpy[${PYTHON_MULTI_USEDEP}]
+	')
+	cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+	fftw? ( sci-libs/fftw:3.0 )
+	dev-libs/boost:=[mpi]
+	hdf5? ( sci-libs/hdf5:=[mpi] )"
+
+DEPEND="${RDEPEND}
+	doc? (
+		app-doc/doxygen[dot]
+		dev-texlive/texlive-latexextra
+		virtual/latex-base )"
+
+DOCS=( AUTHORS NEWS README ChangeLog )
+
+S="${WORKDIR}/${PN}"
+
+src_prepare() {
+	use cuda && cuda_src_prepare
+	cmake_src_prepare
+}
+
+src_configure() {
+	mycmakeargs=(
+		-DWITH_CUDA=$(usex cuda)
+		-DPYTHON_EXECUTABLE="${PYTHON}"
+		-DWITH_TESTS=$(usex test)
+		-DINSTALL_PYPRESSO=OFF
+		-DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=$(usex !fftw)
+		-DWITH_HDF5=$(usex hdf5)
+		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
+		-DCMAKE_SKIP_RPATH=YES
+	)
+	cmake_src_configure
+}
+
+src_compile() {
+	cmake_src_compile
+	use doc && cmake_build doxygen
+	[[ ${PV} = 9999 ]] && use doc && cmake_build ug dg tutorials
+}
+
+src_install() {
+	local i docdir="${S}"
+
+	cmake_src_install
+
+	insinto /usr/share/${PN}/
+	doins "${BUILD_DIR}/myconfig-sample.hpp"
+
+	save_config "${BUILD_DIR}/src/config/myconfig-final.hpp"
+
+	if use doc; then
+		[[ ${PV} = 9999 ]] && docdir="${BUILD_DIR}"
+		newdoc "${docdir}"/doc/dg/dg.pdf developer_guide.pdf
+		newdoc "${docdir}"/doc/ug/ug.pdf user_guide.pdf
+		for i in "${docdir}/doc/tutorials/python"/*/[0-9]*.pdf; do
+			newdoc "${i}" "tutorial_${i##*/}"
+		done
+		dodoc -r "${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
+}