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authorChristoph Junghans <ottxor@gentoo.org>2016-09-27 10:29:34 -0600
committerChristoph Junghans <ottxor@gentoo.org>2016-09-27 12:13:37 -0600
commit2fb28aa6983f46e944d9f18cd7491ededc7e29a1 (patch)
tree28b6ddfd419df6554a467b6010cf4ae9c4a56d83 /sci-chemistry
parentsci-libs/votca-tools: version bump (diff)
downloadgentoo-2fb28aa6983f46e944d9f18cd7491ededc7e29a1.tar.gz
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sci-chemistry/votca-csg: version bump
Package-Manager: portage-2.3.0
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/votca-csg/Manifest3
-rw-r--r--sci-chemistry/votca-csg/votca-csg-1.4_rc1.ebuild114
2 files changed, 117 insertions, 0 deletions
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index fb5ff9a5d3c1..16da3c9fdbb4 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,9 +1,12 @@
DIST votca-csg-1.2.4.tar.gz 188345 SHA256 375b428c90247a3877f71c2d96200969bcaf2b081b8c7332ac770720df43646a SHA512 da814154be6700b56509d899ea16a2f974fd951792c78f2f8717b39b0165fe19121fefb2ef9531c63a8d4558d15776058d24b13e0e7ad0abb9d7b11fac0f5d1a WHIRLPOOL 64a86b09ae00435c68bf09e960c1d1738648811fe2a9ffb18f5529d30d6f94ebf1fc218b14e1ee0bfc911e5ca1e92c25404be045cf28e16ced98fd7ee4421418
DIST votca-csg-1.3.1.tar.gz 242384 SHA256 608225256cf97552cf860cb3754f59a49c55d8433cff07440b8a252645e7bcb6 SHA512 fed4e164b9661d48fd8fa3f57c0a567b88ef2fe0a7a02cafba1d0b1d557529e5259161f558cae95117df8cae996c30486877c0e5aff96d1e8100341bfb674c20 WHIRLPOOL 553fa0b7fb2e142b984a5be6eff1a4e6e89ea2e78a3e7081441d88a498d2aa2bb5cd5e90456656713a646a7f82875fa79d7b9fa62c66ce9edc084f995f936c61
DIST votca-csg-1.3.tar.gz 242169 SHA256 eace2b90bcd9318ef257355daf09cbd15b10906c44af95d36454aa969a032cff SHA512 c1314672227feb361991b20cb1511473f23df1f0ff337ddc11319f2261ea19ac5c895de72d1da705026520483eebf1477462ea63275451c9fd1e6bbf4826bd76 WHIRLPOOL 2b48e19705fccc8b6af336536d90fdaf168bda05f327a688e604bd079a69b8b9b816d2d549e510659367e397229fbb433c7c406d462f809e0b4ae98c22a8b81b
+DIST votca-csg-1.4_rc1.tar.gz 346825 SHA256 ef13e1d75239cbfb1ef45927efbd1eb8135b0e616cd6e7f693187ffa2cde4eb7 SHA512 291fb5ce6b458fd8c1e7d30ad24d41a402c7794ce853db860d03148b53ae024925d36233e8b9e388e9e64819c3aba2a8dd89a3180a3fd1185dfdb93674df03e3 WHIRLPOOL 65cc9945ae7ba50184922cb375c0691c951152a918c7f79ce93758b54b8301c2faa497bb4960dd5e246085d1f965e633387905a4a293efb266231379466db794
DIST votca-csg-manual-1.2.4.pdf 1029132 SHA256 78a68955c96700d432249f712e0601376d5d61fef607860fe32d0ce0dcb70cff SHA512 66b7cf869b2b06d4133b341934fd013717b17c90426f4cdf637ef3bb6119e9f6b67cbde56b7f6b6c777dba9fb311df42dd34d8fe23331f1656439acb541d81bf WHIRLPOOL 629e0e6a8900bb7e4a96b7e1020f86ccacd5a7e7258a493d565c94986a0907371a37d45bf499517a74ad29cf2b606965746e0d90b6be91777f2b0a85f2781732
DIST votca-csg-manual-1.3.1.pdf 1266375 SHA256 320060a77739d3c9ca98116edde94468e136b4bbd38970b82c874eed30af4ee8 SHA512 3335309b364cebcba25269c39dc2383e663a6b46111b02120c63d408a6fd9c3361408beb528d664ce6e13311e5ebff4a4c2772cf2f0e668904b1d9e43030d321 WHIRLPOOL 04adb86ffb10e9e0ecd754ab29940468ec32ddd1f6de1796dd2e89a49e0b60df6a4ecbccab60a085e2619fab480bc63dbb4378490ccfc024c8335ceade983955
DIST votca-csg-manual-1.3.pdf 1266541 SHA256 1520f2c18972a2ec5e0a7e847ae294cee1e6fa5682010a314f2e45c264e59cec SHA512 eb5d88f6cba30d9fd8c3cb11cd6c08dd3e717fccdcbef11c3363d4eb36d23000d8bd7b448c0a5311bcaee2b502e50d7aadb0faf7c9a5e5e9c6e1e37b1e09ec7e WHIRLPOOL f411bdc929515594200a636e6f5e3338797ae35dfe8ba3ddb01913cea85973dccca6482a4aa276ce68689a8f7c4c6d47ae448f2e3ce549d3dba35a1d40eeb44d
+DIST votca-csg-manual-1.4_rc1.pdf 1268730 SHA256 4dc27fa2fb2300ceb0e7f601f0e0b3be91bfd20666126de80d5d977e1230bd11 SHA512 0e3d7ce8e7c63f24e13c099a70cfc30655e553ebdffe80731afcd7ae7f4c35d6c4a8976125e3b9f7dee01c8acc33b189c66096a056c6d70733fc970dd557ec5c WHIRLPOOL 0c7062d13a703117044b8779d8d4e4f207f274a2f7583ed2e8f753f3325c479aefc134ca2e5d9cecd2c1d5cab1e82a3b012593917513e8a5899652d502236a1b
DIST votca-csg-tutorials-1.2.4.tar.gz 3721034 SHA256 94b10f23f6e49c1279cdeea87dfee9c19b44373c74212340acebc06eb11e0245 SHA512 8d78a6ff02aedf97c2b640714fd7acfb7c4b0d03ec0141fa89f0ba041e1d2ec07477653d92effd4c96a6497271ad58f5c3397e1fc183c1c856285f6f8b5ceaf5 WHIRLPOOL ea0df816d2f26f12271250137b51f42ecc4a16eea622d37833d4dcc299732c413ee9f71a67767957b13ce8b44a96e9b1389bbbbdb66015c4b5c6d577d4483cf1
DIST votca-csg-tutorials-1.3.1.tar.gz 7602667 SHA256 7f283d14bec05cf617f1fb8026ee07af2bb1c517ea5a8526e2f318024cbf7069 SHA512 2475d8c8b40df1307c499387d352bdf2e4beb730978a025be66f8b342eb205020739aad88248e1928a66e0e117a3f7bafa553f2db8089b10a6fca22e0bfbdf54 WHIRLPOOL ab5226903f47c7372580a88df762d13dfbd8bea4299371e75c8b0bfbbd220cb07b2c0bafbc0ccf277b9e937f1448cdf1e91b2e44a7699db1b90469dc9a10086e
DIST votca-csg-tutorials-1.3.tar.gz 7602622 SHA256 ff6ea92b38b41850f2f92ef7533c1365ec6e6cff15d847eace953d7380777654 SHA512 34788d89fe6e989c91bbbb92887942d774b826d30a6423d539c32065ee8cd6a1adad9a2c4f34fa280c26c2342bf007a35019e6bdd0321dfd7a8f13458c7801a3 WHIRLPOOL e28f33294a5e2a432ef62812243f5bc36cb10a261b09b7bb08267a3da14cd601d7c1835264e1390eebc899f54aad8f12c2880a1a2bb5555681c2f89995672275
+DIST votca-csg-tutorials-1.4_rc1.tar.gz 5710620 SHA256 f513fa46b882fad7a71235191d86899906b4cde4d0938b392162bb69a7c22dfd SHA512 ad360e18e68910ceef0c4d85bb1d7633ab68c462d49551b7ce93208145beaf19e40f492c3cd3e6255bc41c9ad7d6739c1c725c9cdf62235e3ba483d84fefd1db WHIRLPOOL 878e333877a0280bf47aecceb99472ad4fd129bde69c4faabaf9695b47d81c6030233f9932e246cd3aa74674609dc1b8c58e4e6064d7c460dcfa4d4b15e4c6fc
diff --git a/sci-chemistry/votca-csg/votca-csg-1.4_rc1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.4_rc1.ebuild
new file mode 100644
index 000000000000..1b619bab5816
--- /dev/null
+++ b/sci-chemistry/votca-csg/votca-csg-1.4_rc1.ebuild
@@ -0,0 +1,114 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=6
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake-utils multilib
+
+IUSE="doc examples extras +gromacs hdf5"
+PDEPEND="extras? ( =sci-chemistry/${PN}apps-${PV} )"
+if [ "${PV}" != "9999" ]; then
+ SRC_URI="https://github.com/${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 ~x86-macos"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="git://github.com/${PN/-//}.git https://github.com/${PN/-//}.git"
+ KEYWORDS=""
+fi
+
+DESCRIPTION="Votca coarse-graining engine"
+HOMEPAGE="http://www.votca.org"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+
+RDEPEND="
+ =sci-libs/votca-tools-${PV}
+ gromacs? ( sci-chemistry/gromacs:= )
+ hdf5? ( sci-libs/hdf5 )
+ dev-lang/perl
+ app-shells/bash:*"
+
+DEPEND="${RDEPEND}
+ doc? (
+ app-doc/doxygen[dot]
+ dev-texlive/texlive-latexextra
+ virtual/latex-base
+ dev-tex/pgf
+ )
+ >=app-text/txt2tags-2.5
+ virtual/pkgconfig"
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+src_unpack() {
+ if [[ ${PV} != *9999 ]]; then
+ default
+ else
+ git-r3_src_unpack
+ if use doc; then
+ EGIT_REPO_URI="git://github.com/${PN/-//}-manual.git https://github.com/${PN/-//}-manual.git"
+ EGIT_BRANCH="master"
+ EGIT_CHECKOUT_DIR="${WORKDIR}/${PN}-manual"\
+ git-r3_src_unpack
+ fi
+ if use examples; then
+ EGIT_REPO_URI="git://github.com/${PN/-//}-tutorials.git https://github.com/${PN/-//}-tutorials.git"
+ EGIT_BRANCH="master"
+ EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
+ git-r3_src_unpack
+ fi
+ fi
+}
+
+src_configure() {
+ mycmakeargs=(
+ -DWITH_GMX=$(usex gromacs)
+ -DWITH_H5MD=$(usex hdf5)
+ -DWITH_RC_FILES=OFF
+ -DLIB=$(get_libdir)
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+ newbashcomp scripts/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
+ if [[ ${PV} = *9999* ]]; then
+ #we need to do that here, because we need an installed version of csg to build the manual
+ [[ ${CHOST} = *-darwin* ]] && \
+ emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" \
+ || emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" LD_LIBRARY_PATH="${LD_LIBRARY_PATH}${LD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)"
+ newdoc "${WORKDIR}/${PN}"-manual/manual.pdf "${PN}-manual-${PV}.pdf"
+ else
+ dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
+ fi
+ cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
+ dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
+ 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 "http://dx.doi.org/10.1021/ct900369w"
+ einfo
+}