1 files changed, 59 insertions, 0 deletions
diff --git a/sci-chemistry/gmxapi/gmxapi-0.0.7.1-r1.ebuild b/sci-chemistry/gmxapi/gmxapi-0.0.7.1-r1.ebuild
new file mode 100644
index 000000000000..0527b71da6e6
--- /dev/null
+++ b/sci-chemistry/gmxapi/gmxapi-0.0.7.1-r1.ebuild
@@ -0,0 +1,59 @@
+# Copyright 2019-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+MAKE_MAKEFILE_GENERATOR="ninja"
+
+PYTHON_COMPAT=( python3_{6,7} )
+
+inherit cmake-utils python-r1
+
+DESCRIPTION="Gromacs API bindings"
+HOMEPAGE="https://github.com/kassonlab/gmxapi"
+SRC_URI="https://github.com/kassonlab/gmxapi/archive/v${PV}.tar.gz -> ${P}.tar.gz"
+
+LICENSE="LGPL-2.1"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+DEPEND="
+	${PYTHON_DEPS}
+	>=sci-chemistry/gromacs-2019:="
+RDEPEND="
+	${DEPEND}
+	dev-python/networkx[${PYTHON_USEDEP}]
+"
+BDEPEND=""
+
+src_configure() {
+	my_impl_src_configure() {
+		local mycmakeargs=(
+			-DCMAKE_STRIP="${EPREFIX}/bin/true"
+			-DCMAKE_INSTALL_PREFIX="${ED}/usr"
+			-DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
+			-DGMXAPI_INSTALL_PATH="${EPREFIX}/usr/$(get_libdir)/${EPYTHON}/site-packages/gmx"
+		)
+
+		cmake-utils_src_configure
+	}
+
+	python_foreach_impl my_impl_src_configure
+}
+
+src_compile() {
+	python_foreach_impl cmake-utils_src_make
+}
+
+src_install() {
+	my_impl_src_install() {
+		cd "${BUILD_DIR}" || die
+		cmake-utils_src_install
+		python_optimize
+	}
+
+	python_foreach_impl my_impl_src_install
+}