summaryrefslogtreecommitdiff
path: root/sci-chemistry
diff options
context:
space:
mode:
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/Manifest.gzbin10195 -> 9700 bytes
-rw-r--r--sci-chemistry/votca-csg/Manifest8
-rw-r--r--sci-chemistry/votca-csg/metadata.xml19
-rw-r--r--sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild91
-rw-r--r--sci-chemistry/votca-csg/votca-csg-2021.2.ebuild87
-rw-r--r--sci-chemistry/votca-csgapps/Manifest3
-rw-r--r--sci-chemistry/votca-csgapps/metadata.xml15
-rw-r--r--sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild30
-rw-r--r--sci-chemistry/votca-xtp/Manifest5
-rw-r--r--sci-chemistry/votca-xtp/metadata.xml15
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild42
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild51
12 files changed, 0 insertions, 366 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 9df2c38b8523..9c95fe8943da 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
deleted file mode 100644
index fd686915e851..000000000000
--- a/sci-chemistry/votca-csg/Manifest
+++ /dev/null
@@ -1,8 +0,0 @@
-DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
-DIST votca-csg-2021.2.tar.gz 4300675 BLAKE2B 8db666e77bc7d6d8da34fed97b0466e5296019aa703f324d46531992c0af544c31b2e3e4595883791cef7acd6d2d52eff8edc7eeedecaae0eb9e0cbf334748ab SHA512 5808edd96199cad6e5fc803a0e489f3d2f376da3d64f565536cc37561a0fcd22960563af7d3f86522bcc7336c8d6f7c7f6501b36feb960aae5168904156bfbf6
-DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
-DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B 66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f SHA512 7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
-DIST votca-csg-tutorials-2021.2.tar.gz 5942042 BLAKE2B a03627406a3b56ebf978dc82629e1f0950bfbb121a0f6c7fd60341986efe4892ba8bf1e6b526e6df2df5fb81351177ad97816568521b9dc6a91e72d6853c1e62 SHA512 3ddeb3e57353e6d4e59163ee1303b39d4e3b623309875f280bf8c02dde76d0615b32a27ea960a301b61b81034a538df87dfe97a53dfdd0c81f52629eadd64f1f
-EBUILD votca-csg-1.6.4.ebuild 2308 BLAKE2B 65ae92b9302300cbb0d18a0ca3cc3937040e5827dd9719907a6e8d8c93380205c538eae815718e4453ebf80a76c38aa250901a5b7a37617e7b5481d127788586 SHA512 5b50632329d68e1dd196e842c8118173391b266e086b3949bbc5afd93bd22bb25895c6d95728b82b5c908b8c759eddd7f8eb1e31a5392b6898a92522337a5d5f
-EBUILD votca-csg-2021.2.ebuild 2115 BLAKE2B 7dbbec43db92a5b8c6420f468e6eb0d9488262dd70dd5ec23ee4482e4807e398bbca5cce619ea58f654521a8a7b5b50d20cd40630ef1a414ca5a0fec783e825b SHA512 54f8441f84c22134785b8297c5a7e96a0e7305b342631b82c9f4a3b06a0c97d5ee665848d4206100e1287c7a00ae8428fe7e1632584356b29544f3b89d6ba435
-MISC metadata.xml 677 BLAKE2B 4d577f0229184293e80dca331cba9f8d234a73eb73b6eac92d7e87e2aefe90de69be1323d3e401cfedb0aa6f18ab77b7ae6f3f4c8c1aca836d7ac8a57184eb32 SHA512 f7999c1c10630ae72535609f9be857e7efbe89f0cc99f55268c66271625777e64c0a552317c49cde3ef5652be68c7e91630b8cd038b255b71a1566fac75b91e7
diff --git a/sci-chemistry/votca-csg/metadata.xml b/sci-chemistry/votca-csg/metadata.xml
deleted file mode 100644
index e20cfda723ef..000000000000
--- a/sci-chemistry/votca-csg/metadata.xml
+++ /dev/null
@@ -1,19 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="person">
- <email>junghans@gentoo.org</email>
- <name>Christoph Junghans</name>
- </maintainer>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <use>
- <flag name="gromacs">Add support for gromacs file formats through <pkg>sci-chemistry/gromacs</pkg></flag>
- <flag name="extras">Pull in extra applications from <pkg>sci-chemistry/votca-csgapps</pkg></flag>
- </use>
- <upstream>
- <remote-id type="github">votca/csg</remote-id>
- </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
deleted file mode 100644
index 5630d124ef7d..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
+++ /dev/null
@@ -1,91 +0,0 @@
-# Copyright 1999-2022 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"
- PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
-else
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
- doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf )
- examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="amd64 x86 ~amd64-linux"
- S="${WORKDIR}/${P#votca-}"
- PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="https://www.votca.org/"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="doc examples extras +gromacs hdf5"
-
-RDEPEND="
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-lang/perl
- ~sci-libs/votca-tools-${PV}
- gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- hdf5? ( sci-libs/hdf5 )
-"
-DEPEND="${RDEPEND}"
-BDEPEND="
- >=app-text/txt2tags-2.5
- virtual/pkgconfig
-"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-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=(
- -DWITH_GMX=$(usex gromacs)
- -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
- -DWITH_RC_FILES=OFF
- )
- 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 doc; then
- [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
- fi
- 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-2021.2.ebuild b/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild
deleted file mode 100644
index 8cd79831d9cc..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild
+++ /dev/null
@@ -1,87 +0,0 @@
-# Copyright 1999-2022 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 test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-lang/perl
- ~sci-libs/votca-tools-${PV}
- gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- hdf5? ( sci-libs/hdf5 )
-"
-DEPEND="${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=$(usex extras)
- -DENABLE_TESTING=$(usex test)
- )
- 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-csgapps/Manifest b/sci-chemistry/votca-csgapps/Manifest
deleted file mode 100644
index f81774a0e49e..000000000000
--- a/sci-chemistry/votca-csgapps/Manifest
+++ /dev/null
@@ -1,3 +0,0 @@
-DIST votca-csgapps-1.6.4.tar.gz 19589 BLAKE2B 90a20c3acef3254b412697dbb543c216d4546241c2f98d8b1e6c7fbd2de5dc5268965f1035843c6832579158843069c610ebbf3363d2e604a1c7c3dc82e3d8d2 SHA512 89ea658092e979c90b9f3d75a8dd9f8ec95278c26fafb30c31a23581dcd7a65e52c8c7696ef14da5821e283d16ab96880041b7b20c9097f99b2fc1eac4a38184
-EBUILD votca-csgapps-1.6.4.ebuild 600 BLAKE2B 1c09b68b2bf4497dd45335823296fbc3ec9e11c12588ed1d7d1ba261bc61d14b7260c2618922cfa09f7303525ed3fec4c1d744fb855f05ae29001c53ef2d9a4d SHA512 5203f67e3ac3c96f807ba42d7ce6b9daccdf71fb51422e204908092e44a5ddb89eb33a5c44ea6dbf571cf7ad2b5f3c826d01ce90a51f64514c61ae41473dd1f2
-MISC metadata.xml 458 BLAKE2B 7ece1794095e4423ca590746617a391a434d36916e38f3b6b723a53d38c0804eda2fea4d17e3dc4db67fdee0fb94accb7d9f84b8821993c3370bb013543bc86b SHA512 5871a39220f39dfde991bfcb5d825f3b876c0fe1cea13d87171b1a4675db311c579fbe7930d9fc350640c9545d466073e6d1eb8f7cf2870f1d95ae92804520f7
diff --git a/sci-chemistry/votca-csgapps/metadata.xml b/sci-chemistry/votca-csgapps/metadata.xml
deleted file mode 100644
index 525a7af3b235..000000000000
--- a/sci-chemistry/votca-csgapps/metadata.xml
+++ /dev/null
@@ -1,15 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="person">
- <email>junghans@gentoo.org</email>
- <name>Christoph Junghans</name>
- </maintainer>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <upstream>
- <remote-id type="github">votca/csgapps</remote-id>
- </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
deleted file mode 100644
index 132c6fce4013..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
+++ /dev/null
@@ -1,30 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit 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}/${P#votca-}"
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="https://www.votca.org/"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
- >=dev-cpp/eigen-3.3
- ~sci-chemistry/${PN%apps}-${PV}
-"
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
deleted file mode 100644
index 410ea4b4a035..000000000000
--- a/sci-chemistry/votca-xtp/Manifest
+++ /dev/null
@@ -1,5 +0,0 @@
-DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
-DIST votca-xtp-2021.2.tar.gz 2192074 BLAKE2B 75b835501d70d1f90010bffce7cdaf3718629c8ec07d0cc10b11e6422c64f37ae32ba30c5b3006cd04863bba1986de1214fe7dbe7a6a12d76c21b4fe3e3b075b SHA512 d79e2e8973ad35a47ac0b1872cc6906aaec3881f4c8dc5ef4d9001b661212592bc309b1a82982db9c4d2827ba7749cd0bbc3134e29798c0bfaf794dee04a7cb6
-EBUILD votca-xtp-1.6.4.ebuild 916 BLAKE2B 3f322407b39ca300186e1e283a6a85749b79518cbd7355577992fc4eeb7931c419e018a384a29d1e84becc5a7c94f7905c96d26cf6a750a9b0124ea35a40bd7a SHA512 65a479d3292c7296cbfb6543fe47e54f2824705dcbc2b2e75f6f2f4fda9f827ce15904aacff59c927061547a45c940eebef4f4fa3e3bcb226f401a6817dd74fc
-EBUILD votca-xtp-2021.2.ebuild 1072 BLAKE2B fd96c0a844636d52b3d4f10fc3cd4ad04061f6e015d1e8b087bcd50157e4d8a2586d7a4948b39987628d6efd9fc0c373d8bb77344bc62c3651d7b08704bc59fc SHA512 a1e95165d8c55351762d5a1cf70316862de2e30b765df1aaf8d904aa0cc0bf8d9e1f75aba3c88a4c7b273fee29d6a1bc89d710bb3fe298da5ee92b4f427a4f4a
-MISC metadata.xml 454 BLAKE2B 649578a46b3cbea28539fb2f2716518819f2740155433d1af07d3ee3163ccd3c2db2c69b75de829db3c46e3e2ef500892abae16b2b920b8ca5ac68e205c93cd8 SHA512 427fc4f2f5c0e265af0f6cbd7341860e3c8c62afcfacd0edf2ec53e9eb2228dfb3ada0f9f273127a0805f8fb87cbae4e14daefbc068d6afe655c917cb6c74df4
diff --git a/sci-chemistry/votca-xtp/metadata.xml b/sci-chemistry/votca-xtp/metadata.xml
deleted file mode 100644
index 979a4dea2e23..000000000000
--- a/sci-chemistry/votca-xtp/metadata.xml
+++ /dev/null
@@ -1,15 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="person">
- <email>junghans@gentoo.org</email>
- <name>Christoph Junghans</name>
- </maintainer>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <upstream>
- <remote-id type="github">votca/xtp</remote-id>
- </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
deleted file mode 100644
index 6a0bba5928b3..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
+++ /dev/null
@@ -1,42 +0,0 @@
-# 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/votca-tools-${PV}
-"
-DEPEND="${RDEPEND}"
-BDEPEND="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
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild
deleted file mode 100644
index 4d4db8635e4d..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild
+++ /dev/null
@@ -1,51 +0,0 @@
-# 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
-}
generated by cgit v1.2.3 (git 2.25.1) at 2024-08-12 02:15:40 +0000