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authorV3n3RiX <venerix@redcorelinux.org>2021-03-20 14:27:17 +0000
committerV3n3RiX <venerix@redcorelinux.org>2021-03-20 14:27:17 +0000
commit5bb9ff1ee56d2b5e75e01a7f066d8b0cec84ec02 (patch)
tree66e860a5099bcad013f1cf667255dc372a7c11b3 /sci-chemistry
parent7218e1b46bceac05841e90472501742d905fb3fc (diff)
gentoo resync : 20.03.2021
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/Manifest.gzbin11356 -> 11349 bytes
-rw-r--r--sci-chemistry/avogadro2/Manifest2
-rw-r--r--sci-chemistry/avogadro2/metadata.xml2
-rw-r--r--sci-chemistry/metadata.xml1
-rw-r--r--sci-chemistry/votca-csg/Manifest5
-rw-r--r--sci-chemistry/votca-csg/votca-csg-2021.ebuild85
-rw-r--r--sci-chemistry/votca-csg/votca-csg-9999.ebuild10
-rw-r--r--sci-chemistry/votca-xtp/Manifest4
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-2021.ebuild43
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-9999.ebuild13
10 files changed, 153 insertions, 12 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 8866474d3ad6..330435993006 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/avogadro2/Manifest b/sci-chemistry/avogadro2/Manifest
index ac432449d753..a0d491891151 100644
--- a/sci-chemistry/avogadro2/Manifest
+++ b/sci-chemistry/avogadro2/Manifest
@@ -1,3 +1,3 @@
DIST avogadro2-1.93.0.tar.gz 2905461 BLAKE2B db51e4574fdf2a31657b8bef7b06eb0d563484deaae1a6d75649187d6f5fd7b02a99506cfb850e09792555d7c27d9937d0df0f7172fafc3ddcbccaa7502c5bb6 SHA512 8e4e15b6c2d1935f8c585c83761b28a6397bc1dc22cd5f66464d59dd25327b1cffec809af492586be4b56793448f94f9375c16e8a4c4969f7b8f2591049cc5fc
EBUILD avogadro2-1.93.0.ebuild 1224 BLAKE2B 13b6f9bb19f20fb638cae69b4dd556563b749935a79735a4ad55fdcafe0b590320c6040bf8d147cfa657b7c79560fcb40c13993343bf54ecd750da707c23f142 SHA512 c27577dce2314671c15c47d9dfd4b1c0288503d418cb43b22dfa6c240e70c17f21d99f91915a6d6bd1d529426f7f99843954b69d24f08c42e90ecf6fec9b1846
-MISC metadata.xml 513 BLAKE2B f721104691759eb8a87d9cb6dd56bef45ac151e180caa68376406274a57df6c04e3fec6ba6d7e2aabf4355356002d27dd92e5b850c55103b3b23340d9b64d891 SHA512 4209c0681f7055b240f1054a10d58d5c22dca467903096ab1f5eb1b8cf276990f694b2033b4e9b4e4838cce65dd7c7660633079764248f394e32ece0048f09a0
+MISC metadata.xml 513 BLAKE2B a8b5cff44b4c27be87ea699d76379063c1ccf26ce04ca2052a08a6a5042e915e24cce853300ecffe9594aa23e9c8370b658ce0bd9595e6b231bc3c6fd6e725a8 SHA512 96e91d4b1243015e2e225ef21d261b09d41d67edf52db85a3059ad7d543d4c592d2a7fdd3ed716c4d633446d13151f2e2fef84ea8bfe5a19fa9e9d8fb8132d9b
diff --git a/sci-chemistry/avogadro2/metadata.xml b/sci-chemistry/avogadro2/metadata.xml
index a43fe21628c8..8da47dd4e3c3 100644
--- a/sci-chemistry/avogadro2/metadata.xml
+++ b/sci-chemistry/avogadro2/metadata.xml
@@ -1,4 +1,4 @@
-<?xml version='1.0' encoding='UTF-8'?>
+<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<maintainer type="project">
diff --git a/sci-chemistry/metadata.xml b/sci-chemistry/metadata.xml
index c60d4c31553f..7c6e6107936e 100644
--- a/sci-chemistry/metadata.xml
+++ b/sci-chemistry/metadata.xml
@@ -35,4 +35,3 @@
Kategoria sci-chemistry zawiera programy naukowe związane z chemią.
</longdescription>
</catmetadata>
-
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index b1f031db5c08..d45414d9fe6a 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,14 +1,17 @@
DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe
+DIST votca-csg-2021.tar.gz 4300573 BLAKE2B ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59 SHA512 8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12
DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca
DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701 SHA512 f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B 66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f SHA512 7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B 018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfabbbbc110789840184ad SHA512 36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696
+DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B 60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1 SHA512 844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3
EBUILD votca-csg-1.5.1.ebuild 2522 BLAKE2B 0fe2b373307c76ebab320169b5ae837c463a734b029af1a328a87c2428b19484f138c75e7bb1e4ad91d0c099aa24c97c411c2f00308ebad051a81d0275e797be SHA512 2c6018212ae244e7387a2f63e186e970dd18825d77994f862c283131796ac93c6bb25a5233a41e306d8090ee75c82759025b74c3d1e0a0211adf67e0b3964449
EBUILD votca-csg-1.6.4.ebuild 2292 BLAKE2B 09218b100241e4025010215d975195b7d6f17343f4dce8d4a0e1c18b8c2c99d7fba8f0a8e8372ea8a543cd13b96514e2c2e3bec61ba23ce99031c107f30600fb SHA512 68d528d8b8496c65ec30ec8552baf9bd8b74d75ecafb3972c19e3b1d13214dc93215f5f50c96cd7ef0e86cdfce53d1a9da83514c5babc673dd6763a1657464b5
EBUILD votca-csg-1.6.ebuild 2332 BLAKE2B 4241ebb2ab2c45fdd192eee0fc1ff111ddfa025ac5c1ff0fb98e551ff842ec91b3c299e8e662dedfbc5783707c107ac94df79d18747dba2f7a5e5853e7d4b38e SHA512 e821e4a31d4811abaa8fd05e225ab090c2d67d7bc2e3c399d544ae22fb14a4f6bb2e4f9ce94ecabd11b5c3fe0623523efc2d93fde3428bb6b5d492b366803216
-EBUILD votca-csg-9999.ebuild 2020 BLAKE2B 5c69ecca5b9a7dcb71c12282ab5e9bfd44afd2553afdf5dd455fa8333b0e5fc81f95edfa5b065054f0b3cafbc9b1abfeffea5e2f2b1c0b80483cedac6764f3b1 SHA512 9f98e49c8fc3767c5154122352ac2260c5acef45f971c7421720767089b7d5b4c611a828d2d220245f673d7e72f186740b4c6578249a479708cc9a6365afb063
+EBUILD votca-csg-2021.ebuild 2033 BLAKE2B 77fc10474aff5882c3d99133175f67ee51704dd1a32e101a42afb5e4417f3c478b4311f9ed619d62c1eab13328b130cfb1e500ff1e890c518adc0b1fcf167c6c SHA512 de1e8c1d9cb22e75ebc8dc7c043aafb04dce6eaf3d7173f1e745a6578b7236e9f71ce3b75fa5698333eca7c5c74a41337eba3fb4cd5c037e8bf3172bf78296eb
+EBUILD votca-csg-9999.ebuild 2072 BLAKE2B 1b13ee8b2bd47a7bd17fbddf1cc46f3ac38a21ba4c2d6d5a453ef3c55e2894b31c20c0f32d2b335b76d76ca56df6838b2ed6a616ee96e9dcb6fb7981f2f10346 SHA512 561f20660a4db6bca57c3bcf10c69aab2834b0a054c2ce95245a52536a1064c1481840001594cf2bcc4c060e3c407078d9d0b67497bd861d3f0a1df6b0ba3678
MISC metadata.xml 676 BLAKE2B b3f2e43f5cb505876216b0a329410c9cef1b44a9bbd7e1c61faa4acd00dbe87ea0cebb00ed78dc00b9e1d2b08b95e3c40d25fecc0738c992a3f933e430f94e2b SHA512 14ecd498eeeed1576923d8da9bc5dc98e47c1d162173b7f2419ad367fa84e227555bd0365709be8a456dc5388ea6fa6734fa7df3c82fd4efcd1cf3460c7e12a1
diff --git a/sci-chemistry/votca-csg/votca-csg-2021.ebuild b/sci-chemistry/votca-csg/votca-csg-2021.ebuild
new file mode 100644
index 000000000000..0b8ffb4e34b8
--- /dev/null
+++ b/sci-chemistry/votca-csg/votca-csg-2021.ebuild
@@ -0,0 +1,85 @@
+# 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 -> ${P}.tar.gz
+ examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/${P#votca-}"
+fi
+
+DESCRIPTION="Votca coarse-graining engine"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="examples extras +gromacs hdf5"
+
+RDEPEND="
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-lang/perl
+ ~sci-libs/votca-tools-${PV}
+ gromacs? ( sci-chemistry/gromacs:= )
+ hdf5? ( sci-libs/hdf5 )
+"
+DEPEND="${RDEPEND}"
+BDEPEND="
+ >=app-text/txt2tags-2.5
+ virtual/pkgconfig
+"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_unpack() {
+ if [[ ${PV} == *9999 ]]; then
+ git-r3_src_unpack
+ if use examples; then
+ EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
+ EGIT_BRANCH="master"
+ EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials" \
+ git-r3_src_unpack
+ fi
+ else
+ default
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
+ -DBUILD_CSGAPPS=$(usex extras)
+ )
+ cmake_src_configure
+}
+
+src_install() {
+ cmake_src_install
+ newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call
+ for i in "${ED}"/usr/bin/csg_*; do
+ [[ ${i} = *csg_call ]] && continue
+ bashcomp_alias csg_call "${i##*/}"
+ done
+ if use examples; then
+ insinto "/usr/share/doc/${PF}/tutorials"
+ docompress -x "/usr/share/doc/${PF}/tutorials"
+ rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
+ doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
+ fi
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w"
+ einfo
+}
diff --git a/sci-chemistry/votca-csg/votca-csg-9999.ebuild b/sci-chemistry/votca-csg/votca-csg-9999.ebuild
index 358ce54951d8..ba2fbdfd7aa7 100644
--- a/sci-chemistry/votca-csg/votca-csg-9999.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-9999.ebuild
@@ -20,7 +20,8 @@ HOMEPAGE="https://www.votca.org/"
LICENSE="Apache-2.0"
SLOT="0"
-IUSE="doc examples extras +gromacs hdf5"
+IUSE="examples extras +gromacs hdf5 test"
+RESTRICT="!test? ( test )"
RDEPEND="
app-shells/bash:*
@@ -32,7 +33,6 @@ RDEPEND="
"
DEPEND="${RDEPEND}"
BDEPEND="
- >=app-text/txt2tags-2.5
virtual/pkgconfig
"
@@ -54,10 +54,10 @@ src_unpack() {
src_configure() {
local mycmakeargs=(
- -DWITH_GMX=$(usex gromacs)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
- -DWITH_RC_FILES=OFF
- -DBUILD_CSGAPPS=ON
+ -DBUILD_CSGAPPS=$(usex extras)
+ -DENABLE_TESTING=$(usex test)
)
cmake_src_configure
}
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index 0566e30845e4..41b68fe052cd 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,6 +1,8 @@
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-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b
EBUILD votca-xtp-1.6.4.ebuild 918 BLAKE2B 5ed068af82c39ebe9a67e34157f4382a0b79048110305660eeac7d714d21376768ad63c6311f218d7c58c757201472190c69b6bbdc570fcd28d34291f9f20568 SHA512 370253c1fe351fe528502b221cd7c7f1cd05331313fbbfd974ef0ba2c85f8247fbe9d2fbe14ca180954b04e52c33458c636f4a1c41eda78ed689fc26723e117a
EBUILD votca-xtp-1.6.ebuild 955 BLAKE2B 02248b9fd6aff495ba7362e836e78540c489696c8035b2dc36494d2574a4eabdb9e89e41f277ca59e1b6b0fc0929ed2e1ed5d4fb7a302b7f3ee4c02199006004 SHA512 c7094ef6df89b323ab69f7dc369bbf88758c35803dcfa8bf2acc9390b34fc556aef3917c1167b8303870c85b507940798a4286460483ecb8a7016baa762728c5
-EBUILD votca-xtp-9999.ebuild 918 BLAKE2B 5ed068af82c39ebe9a67e34157f4382a0b79048110305660eeac7d714d21376768ad63c6311f218d7c58c757201472190c69b6bbdc570fcd28d34291f9f20568 SHA512 370253c1fe351fe528502b221cd7c7f1cd05331313fbbfd974ef0ba2c85f8247fbe9d2fbe14ca180954b04e52c33458c636f4a1c41eda78ed689fc26723e117a
+EBUILD votca-xtp-2021.ebuild 943 BLAKE2B a0596dab1f69c3c8e9afb3699b44ab0e49cd4e8f5ef6a397eed39ed051e13f0b457ca0b0e225329dcf73bc58799d4e3fc217805784f936d9e1ee09c3586bd998 SHA512 9c4688a19b3a4ef75c79a0500f253aaa1a99d38ed4e56948e4743ea03e734e613be845b56d084c67d783a8e76cd4ebc2888b94bfe3c6e67a9799bc22af6ff19b
+EBUILD votca-xtp-9999.ebuild 1073 BLAKE2B a9c1b41b9c84fdc31a6203714b183bb5d119e14e4a7e7c439d854c8f484bfab1e7f7f547b47ca059a080d667db36acf1311f406c83bcae3cfadd99c2262b8c39 SHA512 158015f6f79d215ab8a443cec0b104992e3ccea07356ea7a1c24790d8f0ee67eacff1f238fac30a5f9f522b131a599d6ea9fc6ed943c9889203826c7a9ea8849
MISC metadata.xml 453 BLAKE2B 51ee11d9c55f15fd0382a7c422d1c12364901a5ac257f57d04b91b8ca77acf9c1eb709879bfc6042b577961352cbc4e31b01ece3a8c650eaffa9b4ebc6d385fb SHA512 892c8f84df6bd19e969b372def9a485be9121d8f7ab410b532529980298e57d0705f73fac409d8f251449cf2119dd3f28133e08d21d0e73b27d5ec0e9a3f205e
diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild
new file mode 100644
index 000000000000..a1148a82dcbb
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild
@@ -0,0 +1,43 @@
+# 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}/${P#votca-}"
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE=""
+
+RDEPEND="
+ >=dev-cpp/eigen-3.3
+ ~sci-chemistry/votca-csg-${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 )
+
+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
+}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
index d9f436b0316c..e4c0b6c8a536 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
@@ -19,19 +19,28 @@ HOMEPAGE="https://www.votca.org/"
LICENSE="Apache-2.0"
SLOT="0"
-IUSE=""
+IUSE="test"
+RESTRICT="!test? ( test )"
RDEPEND="
>=dev-cpp/eigen-3.3
~sci-chemistry/votca-csg-${PV}
sci-libs/hdf5[cxx]
+ sci-libs/libecpint
sci-libs/libxc
~sci-libs/votca-tools-${PV}
"
DEPEND="${RDEPEND}"
BDEPEND="virtual/pkgconfig"
-DOCS=( README.md NOTICE CHANGELOG.md )
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ )
+ cmake_src_configure
+}
pkg_postinst() {
einfo
generated by cgit v1.2.3 (git 2.25.1) at 2024-12-23 01:45:45 +0000