[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/

[Christoph Junghans]

commit:     3c0e2e08edfcfb89f32733cf81ef268f24a9796a
Author:     Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Wed Jan 13 01:18:05 2021 +0000
Commit:     Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Wed Jan 13 01:20:37 2021 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3c0e2e08

sci-chemistry/votca-xtp: add v1.6.4

Package-Manager: Portage-3.0.9, Repoman-3.0.2
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>

 sci-chemistry/votca-xtp/Manifest               |  1 +
 sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild | 45 ++++++++++++++++++++++++++
 2 files changed, 46 insertions(+)

diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index af3c7ca11cc..9c731d37fe5 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -5,6 +5,7 @@ DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B 
af04de706f0d100968928459a03b6a94a94a2
 DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B 
b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a
 SHA512 
8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa
 DIST votca-xtp-1.6.2.tar.gz 1405868 BLAKE2B 
4e5700cec41ede632b97904259040aef2b79f9698547bf508584e49ff5cb16ab627c31732136de67bed3f70af9bf890a25bf511e8d9278821107760fc29441b7
 SHA512 
64610239ef5b902daa4ff475b4fea194912ef2a50e24214fcecf7d63336208a642c5ae5f02b0f21d04a78acaef224ba9a29b06b9380dbd6a43553e704efc54fe
 DIST votca-xtp-1.6.3.tar.gz 1405361 BLAKE2B 
35b73f754f6485c96624e75db7583559601e286d1a782259266f7a4e210ab21615d8ba6d308975483428091bf58a55b8fc96327543c17f8b5786744560cdf239
 SHA512 
2de786a10a3776b6a6e187cd1c42b173cb912b1169b6283ccd245fac9b2f03a94235b2ff8a372dee83e33f6669211b1f79573b099ad9775971ece79a88ac990c
+DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 
9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220
 SHA512 
f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
 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-1.6.4.ebuild 
b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
new file mode 100644
index 00000000000..a709871034b
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
@@ -0,0 +1,45 @@
+# Copyright 1999-2021 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 -> 
${P}.tar.gz"
+       KEYWORDS="~amd64 ~x86 ~amd64-linux"
+       S="${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
+}