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sci-chemistry/votca-xtp: version bump
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Package-Manager: Portage-3.0.20, Repoman-3.0.2
Signed-off-by: Christoph Junghans <[email protected]>
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junghans committed Jul 18, 2021
1 parent 87f4bb3 commit 38b1dd6
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1 change: 1 addition & 0 deletions sci-chemistry/votca-xtp/Manifest
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DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
DIST votca-xtp-2021.1.tar.gz 2192322 BLAKE2B 8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666 SHA512 ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f
DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b
51 changes: 51 additions & 0 deletions sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild
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# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2

EAPI=7

inherit bash-completion-r1 cmake

if [[ ${PV} == *9999 ]]; then
inherit git-r3
EGIT_REPO_URI="https://github.com/${PN/-//}.git"
else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
fi

DESCRIPTION="Votca excitation and charge properties module"
HOMEPAGE="https://www.votca.org/"

LICENSE="Apache-2.0"
SLOT="0"
IUSE="test"
RESTRICT="!test? ( test )"

RDEPEND="
>=dev-cpp/eigen-3.3
~sci-chemistry/votca-csg-${PV}
sci-libs/hdf5[cxx]
sci-libs/libxc
sci-libs/libint:2
~sci-libs/votca-tools-${PV}
"
DEPEND="${RDEPEND}"
BDEPEND="virtual/pkgconfig"

DOCS=( README.rst NOTICE.rst CHANGELOG.rst )

src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
)
cmake_src_configure
}

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
}
1 change: 1 addition & 0 deletions sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
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Expand Up @@ -28,6 +28,7 @@ RDEPEND="
sci-libs/hdf5[cxx]
sci-libs/libecpint
sci-libs/libxc
sci-libs/libint:2
~sci-libs/votca-tools-${PV}
"
DEPEND="${RDEPEND}"
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