commit: 4e361016d11c19bc47c8215da05ee053b49eb61d
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Sun Jun 21 15:41:16 2020 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Sun Jun 21 15:41:39 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4e361016
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.99, Repoman-2.3.22
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca-xtp/Manifest | 1 +
sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild | 45 ++++++++++++++++++++++++++
2 files changed, 46 insertions(+)
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index 7a737a6f82f..2daf4486397 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -2,6 +2,7 @@ DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B
0f6e67179e2ee1fa8ab79ca0c2d810f9867
DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B
435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c6bbbb0c75360940d4f786c0030fd7a
SHA512
ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9
DIST votca-xtp-1.5.1.tar.gz 14634849 BLAKE2B
84ee9fc531a530ba276a6fd3eccc78dd25c27346db76871f33fe307dde451956bf091b636dd5594bf3b8b24a727fe7e5a730fb85cd2cbb0e5605705996e69bd2
SHA512
8fb6891e84d4d685e26287344554b705c607e7cb9f497c00ac9cd8328e50210c56706abdb7004b83d4addbfbc7b35c3526b4feabf75f681362b3b7a39c54b668
DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B
af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201
SHA512
693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140
+DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B
b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a
SHA512
8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa
DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B
1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23
SHA512
cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B
d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4
SHA512
0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd
DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B
8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586
SHA512
fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
new file mode 100644
index 00000000000..f617c9003e6
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.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-utils 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="~amd64 ~x86"
+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
+}
