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commit: f4e8fd6d1119e8731d7638559720c983f2397e33 |
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Author: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
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AuthorDate: Sun Sep 19 15:20:27 2021 +0000 |
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Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
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CommitDate: Sun Sep 19 15:20:43 2021 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f4e8fd6d |
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|
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sci-chemistry/votca-xtp: version bump |
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|
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Package-Manager: Portage-3.0.20, Repoman-3.0.3 |
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Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org> |
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|
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sci-chemistry/votca-xtp/Manifest | 1 + |
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sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild | 51 +++++++++++++++++++++++++ |
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2 files changed, 52 insertions(+) |
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|
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diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest |
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index 0d13f9eb984..b3ede576936 100644 |
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--- a/sci-chemistry/votca-xtp/Manifest |
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+++ b/sci-chemistry/votca-xtp/Manifest |
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@@ -1,3 +1,4 @@ |
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DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af |
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DIST votca-xtp-2021.1.tar.gz 2192322 BLAKE2B 8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666 SHA512 ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f |
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+DIST votca-xtp-2021.2.tar.gz 2192074 BLAKE2B 75b835501d70d1f90010bffce7cdaf3718629c8ec07d0cc10b11e6422c64f37ae32ba30c5b3006cd04863bba1986de1214fe7dbe7a6a12d76c21b4fe3e3b075b SHA512 d79e2e8973ad35a47ac0b1872cc6906aaec3881f4c8dc5ef4d9001b661212592bc309b1a82982db9c4d2827ba7749cd0bbc3134e29798c0bfaf794dee04a7cb6 |
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DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b |
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|
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diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild |
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new file mode 100644 |
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index 00000000000..4d4db8635e4 |
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--- /dev/null |
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+++ b/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild |
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@@ -0,0 +1,51 @@ |
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+# Copyright 1999-2021 Gentoo Authors |
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+# Distributed under the terms of the GNU General Public License v2 |
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+ |
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+EAPI=7 |
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+ |
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+inherit bash-completion-r1 cmake |
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+ |
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+if [[ ${PV} == *9999 ]]; then |
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+ inherit git-r3 |
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+ EGIT_REPO_URI="https://github.com/${PN/-//}.git" |
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+else |
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+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" |
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+ KEYWORDS="~amd64 ~x86 ~amd64-linux" |
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+ S="${WORKDIR}/${P#votca-}" |
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+fi |
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+ |
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+DESCRIPTION="Votca excitation and charge properties module" |
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+HOMEPAGE="https://www.votca.org/" |
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+ |
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+LICENSE="Apache-2.0" |
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+SLOT="0" |
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+IUSE="test" |
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+RESTRICT="!test? ( test )" |
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+ |
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+RDEPEND=" |
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+ >=dev-cpp/eigen-3.3 |
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+ ~sci-chemistry/votca-csg-${PV} |
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+ sci-libs/hdf5[cxx] |
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+ sci-libs/libxc |
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+ sci-libs/libint:2 |
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+ ~sci-libs/votca-tools-${PV} |
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+" |
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+DEPEND="${RDEPEND}" |
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+BDEPEND="virtual/pkgconfig" |
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+ |
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+DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) |
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+ |
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+src_configure() { |
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+ local mycmakeargs=( |
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+ -DENABLE_TESTING=$(usex test) |
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+ ) |
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+ cmake_src_configure |
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+} |
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+ |
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+pkg_postinst() { |
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+ einfo |
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+ einfo "Please read and cite:" |
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+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" |
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+ einfo "https://doi.org/10.1021/acs.jctc.8b00617" |
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+ einfo |
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+} |