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authorChristoph Junghans <junghans@gentoo.org>2019-01-31 10:42:23 -0700
committerChristoph Junghans <junghans@gentoo.org>2019-01-31 13:15:43 -0700
commit643380bc29b621dc6fc3aface8e68d962038b524 (patch)
tree19dd078231eecc54b952c22bae533311a5f6f050
parentsci-chemistry/votca-csgapps: version bump (diff)
downloadgentoo-643380bc.tar.gz
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sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.51, Repoman-2.3.11 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
-rw-r--r--sci-chemistry/votca-xtp/Manifest2
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild73
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-9999.ebuild19
3 files changed, 86 insertions, 8 deletions
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index 320840465ce..09c0c696597 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,4 +1,6 @@
DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B 0f6e67179e2ee1fa8ab79ca0c2d810f9867dab474b50d49316aaed33a01b5cf93a129558792fff2851b8f1b7794ab423c25e4b6f6bce6809520ff40234b14e93 SHA512 1a3f5df3dc9a7f532464ef84ff4f4f8e60b9495529f349ab5e496595e73fff8f4678b8276b2c5733dd3f692ca03220e7d0bc4a82163017572428c0d1dd5f91fd
DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B 435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c6bbbb0c75360940d4f786c0030fd7a SHA512 ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9
+DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201 SHA512 693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140
DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B 8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586 SHA512 fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f
DIST votca-xtp-manual-1.4.pdf 1064006 BLAKE2B e4f0c20c6d40a5f58b863258cc122e5a7cf376b7138927c0a6bdd400841c330fc013287513258f6f68609e39f0bf39b965fd099171594c5e2730fba82a2488d4 SHA512 96d7f59dbcc3a6efdc297237025217d5a56d2c81e491d90680786ea4769a5ebbea379df3b06c4847307ee30accd7415e316dee4730361262f5aff73d2f5d387e
+DIST votca-xtp-manual-1.5.pdf 923211 BLAKE2B 5d2c78260365c6339753e1663d707d642dea870183386f799e8fb34517fdb69680293b77356ae00c3ee6b66053c614b7174503e2e752790a56e7dd2976b3cb0a SHA512 86079339de1cb6e3d0487ad816e86deebe6a1bddcac1f06801e3f94eca2e19b30ec61b286f13429e257aa152129f5dbb4bbbc88ac9d58bf1a9aeb1c3f430d3e0
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
new file mode 100644
index 00000000000..15a8759ad21
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
@@ -0,0 +1,73 @@
+# Copyright 1999-2019 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake-utils multilib
+
+IUSE="doc"
+if [ "${PV}" != "9999" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
+ doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ S="${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-${PV}[sqlite]
+ >=dev-cpp/eigen-3.3
+ ~sci-chemistry/votca-csg-${PV}
+ sci-libs/ceres-solver
+ sci-libs/libxc"
+
+DEPEND="${RDEPEND}
+ >=app-text/txt2tags-2.5
+ virtual/pkgconfig"
+
+if [ "${PV}" != "9999" ]; then
+ DEPEND="${DEPEND}
+ doc? (
+ app-doc/doxygen[dot]
+ dev-texlive/texlive-latexextra
+ virtual/latex-base
+ dev-tex/pgf
+ )"
+fi
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+src_configure() {
+ [[ ${PV} = *9999* ]] && mycmakeargs=(
+ -DBUILD_XTP_MANUAL=$(usex doc)
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+ if use doc; then
+ [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
+ cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
+ dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
+ fi
+}
+
+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 40eff61cae6..15a8759ad21 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -29,24 +29,27 @@ RDEPEND="
~sci-libs/votca-tools-${PV}[sqlite]
>=dev-cpp/eigen-3.3
~sci-chemistry/votca-csg-${PV}
- ~sci-chemistry/votca-ctp-${PV}
sci-libs/ceres-solver
sci-libs/libxc"
DEPEND="${RDEPEND}
+ >=app-text/txt2tags-2.5
+ virtual/pkgconfig"
+
+if [ "${PV}" != "9999" ]; then
+ DEPEND="${DEPEND}
doc? (
app-doc/doxygen[dot]
dev-texlive/texlive-latexextra
virtual/latex-base
dev-tex/pgf
- )
- >=app-text/txt2tags-2.5
- virtual/pkgconfig"
+ )"
+fi
DOCS=( README.md NOTICE CHANGELOG.md )
src_configure() {
- mycmakeargs=(
+ [[ ${PV} = *9999* ]] && mycmakeargs=(
-DBUILD_XTP_MANUAL=$(usex doc)
)
cmake-utils_src_configure
@@ -64,7 +67,7 @@ src_install() {
pkg_postinst() {
einfo
einfo "Please read and cite:"
- einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)"
- einfo "https://dx.doi.org/10.1021/ct200388s"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617"
einfo
}