1 files changed, 45 insertions, 0 deletions
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild
new file mode 100644
index 000000000000..116b226b03f4
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild
@@ -0,0 +1,45 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake multilib
+
+IUSE=""
+if [ "${PV}" != "9999" ]; then
+	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
+	KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+	S="${WORKDIR}/${P#votca-}"
+else
+	inherit git-r3
+	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
+	KEYWORDS=""
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="http://www.votca.org"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+
+RDEPEND="
+	~sci-libs/votca-tools-${PV}
+	>=dev-cpp/eigen-3.3
+	sci-libs/hdf5[cxx]
+	~sci-chemistry/votca-csg-${PV}
+	sci-libs/libxc"
+
+DEPEND="${RDEPEND}
+	virtual/pkgconfig"
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+pkg_postinst() {
+	einfo
+	einfo "Please read and cite:"
+	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+	einfo
+}