From 56bd759df1d0c750a065b8c845e93d5dfa6b549d Mon Sep 17 00:00:00 2001 From: "Robin H. Johnson" Date: Sat, 8 Aug 2015 13:49:04 -0700 Subject: proj/gentoo: Initial commit MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson X-Thanks: Alec Warner - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring - wrote much python to improve cvs2svn X-Thanks: Rich Freeman - validation scripts X-Thanks: Patrick Lauer - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed --- sci-chemistry/votca-csg/Manifest | 6 ++ sci-chemistry/votca-csg/metadata.xml | 17 ++++ sci-chemistry/votca-csg/votca-csg-1.2.2.ebuild | 87 ++++++++++++++++++++ sci-chemistry/votca-csg/votca-csg-1.2.4-r1.ebuild | 96 +++++++++++++++++++++++ 4 files changed, 206 insertions(+) create mode 100644 sci-chemistry/votca-csg/Manifest create mode 100644 sci-chemistry/votca-csg/metadata.xml create mode 100644 sci-chemistry/votca-csg/votca-csg-1.2.2.ebuild create mode 100644 sci-chemistry/votca-csg/votca-csg-1.2.4-r1.ebuild (limited to 'sci-chemistry/votca-csg') diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest new file mode 100644 index 000000000000..703d4fb187ad --- /dev/null +++ b/sci-chemistry/votca-csg/Manifest @@ -0,0 +1,6 @@ +DIST votca-csg-1.2.2.tar.gz 188405 SHA256 9974c30b8c3f2b9bbdfa56ca12e981cfd015fa7c557eec30cd11ee11cb167775 +DIST votca-csg-1.2.4.tar.gz 188345 SHA256 375b428c90247a3877f71c2d96200969bcaf2b081b8c7332ac770720df43646a SHA512 da814154be6700b56509d899ea16a2f974fd951792c78f2f8717b39b0165fe19121fefb2ef9531c63a8d4558d15776058d24b13e0e7ad0abb9d7b11fac0f5d1a WHIRLPOOL 64a86b09ae00435c68bf09e960c1d1738648811fe2a9ffb18f5529d30d6f94ebf1fc218b14e1ee0bfc911e5ca1e92c25404be045cf28e16ced98fd7ee4421418 +DIST votca-csg-manual-1.2.2.pdf 1009336 SHA256 c9760e3d46afbcd8e2bb44937a9680f68d53e86a36bba1513b4612c4c588d8b5 +DIST votca-csg-manual-1.2.4.pdf 1029132 SHA256 78a68955c96700d432249f712e0601376d5d61fef607860fe32d0ce0dcb70cff SHA512 66b7cf869b2b06d4133b341934fd013717b17c90426f4cdf637ef3bb6119e9f6b67cbde56b7f6b6c777dba9fb311df42dd34d8fe23331f1656439acb541d81bf WHIRLPOOL 629e0e6a8900bb7e4a96b7e1020f86ccacd5a7e7258a493d565c94986a0907371a37d45bf499517a74ad29cf2b606965746e0d90b6be91777f2b0a85f2781732 +DIST votca-csg-tutorials-1.2.2.tar.gz 3576523 SHA256 456a8317fff5770a5ebd6452673eefeaa455534b87a800cfbd4672248670f9bd +DIST votca-csg-tutorials-1.2.4.tar.gz 3721034 SHA256 94b10f23f6e49c1279cdeea87dfee9c19b44373c74212340acebc06eb11e0245 SHA512 8d78a6ff02aedf97c2b640714fd7acfb7c4b0d03ec0141fa89f0ba041e1d2ec07477653d92effd4c96a6497271ad58f5c3397e1fc183c1c856285f6f8b5ceaf5 WHIRLPOOL ea0df816d2f26f12271250137b51f42ecc4a16eea622d37833d4dcc299732c413ee9f71a67767957b13ce8b44a96e9b1389bbbbdb66015c4b5c6d577d4483cf1 diff --git a/sci-chemistry/votca-csg/metadata.xml b/sci-chemistry/votca-csg/metadata.xml new file mode 100644 index 000000000000..a7bc0762f8d6 --- /dev/null +++ b/sci-chemistry/votca-csg/metadata.xml @@ -0,0 +1,17 @@ + + + + sci-chemistry + + ottxor@gentoo.org + Christoph Junghans + + + Add support for gromacs file formats through sci-chemistry/gromacs + Use system boost (dev-libs/boost) instead of bundled one + Pull in extra applications from sci-chemistry/votca-csg-apps + + + votca + + diff --git a/sci-chemistry/votca-csg/votca-csg-1.2.2.ebuild b/sci-chemistry/votca-csg/votca-csg-1.2.2.ebuild new file mode 100644 index 000000000000..dc44ee04e33f --- /dev/null +++ b/sci-chemistry/votca-csg/votca-csg-1.2.2.ebuild @@ -0,0 +1,87 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=4 + +inherit bash-completion-r1 cmake-utils multilib + +IUSE="doc examples extras +gromacs +system-boost" +PDEPEND="extras? ( =sci-chemistry/votca-csgapps-${PV} )" +if [ "${PV}" != "9999" ]; then + SRC_URI="http://votca.googlecode.com/files/${PF}.tar.gz + doc? ( http://votca.googlecode.com/files/${PN}-manual-${PV}.pdf ) + examples? ( http://votca.googlecode.com/files/${PN}-tutorials-${PV}.tar.gz )" + RESTRICT="primaryuri" +else + SRC_URI="" + inherit mercurial + EHG_REPO_URI="https://csg.votca.googlecode.com/hg" + PDEPEND="${PDEPEND} doc? ( =app-doc/${PN}-manual-${PV} ) + examples? ( =sci-chemistry/${PN}-tutorials-${PV} )" +fi + +DESCRIPTION="Votca coarse-graining engine" +HOMEPAGE="http://www.votca.org" + +LICENSE="Apache-2.0" +SLOT="0" +KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos" + +RDEPEND="=sci-libs/votca-tools-${PV}[system-boost=] + gromacs? ( sci-chemistry/gromacs ) + dev-lang/perl + app-shells/bash" + +DEPEND="${RDEPEND} + doc? ( || ( =app-doc/doxygen-1.7.6.1[dot] ) ) + >=app-text/txt2tags-2.5 + virtual/pkgconfig" + +src_configure() { + local extra="-DWITH_GMX_DEVEL=OFF" + + use gromacs && has_version =sci-chemistry/gromacs-9999 && \ + extra="-DWITH_GMX_DEVEL=ON" + + #to create man pages, build tree binaries are executed (bug #398437) + [[ ${CHOST} = *-darwin* ]] && \ + extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF" + + mycmakeargs=( + $(cmake-utils_use system-boost EXTERNAL_BOOST) + $(cmake-utils_use_with gromacs GMX) + ${extra} + -DWITH_RC_FILES=OFF + -DLIB=$(get_libdir) + ) + cmake-utils_src_configure +} + +src_install() { + DOCS=(README NOTICE ${CMAKE_BUILD_DIR}/CHANGELOG) + newbashcomp scripts/csg-completion.bash ${PN} + cmake-utils_src_install + if use doc; then + if [ -n "${PV##*9999}" ]; then + dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" + fi + cd "${CMAKE_BUILD_DIR}" || die + cd share/doc || die + doxygen || die + dohtml -r html/* + fi + if use examples && [ -n "${PV##*9999}" ]; then + insinto "/usr/share/doc/${PF}/tutorials" + docompress -x "/usr/share/doc/${PF}/tutorials" + doins -r "${WORKDIR}/${PN}-tutorials-${PV}"/* + 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 +} diff --git a/sci-chemistry/votca-csg/votca-csg-1.2.4-r1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.2.4-r1.ebuild new file mode 100644 index 000000000000..fc2e6d6fe639 --- /dev/null +++ b/sci-chemistry/votca-csg/votca-csg-1.2.4-r1.ebuild @@ -0,0 +1,96 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +inherit bash-completion-r1 cmake-utils multilib + +IUSE="doc examples extras +gromacs" +PDEPEND="extras? ( =sci-chemistry/votca-csgapps-${PV} )" +if [ "${PV}" != "9999" ]; then + SRC_URI="http://downloads.votca.googlecode.com/hg/${P}.tar.gz + doc? ( http://downloads.votca.googlecode.com/hg/${PN}-manual-${PV}.pdf ) + examples? ( http://downloads.votca.googlecode.com/hg/${PN}-tutorials-${PV}.tar.gz )" +else + SRC_URI="" + inherit mercurial + EHG_REPO_URI="https://csg.votca.googlecode.com/hg" + PDEPEND="${PDEPEND} doc? ( =app-doc/${PN}-manual-${PV} ) + examples? ( =sci-chemistry/${PN}-tutorials-${PV} )" +fi + +DESCRIPTION="Votca coarse-graining engine" +HOMEPAGE="http://www.votca.org" + +LICENSE="Apache-2.0" +SLOT="0" +KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos" + +#perl is only used for scripts +RDEPEND="~sci-libs/votca-tools-${PV} + gromacs? ( sci-chemistry/gromacs:= ) + dev-lang/perl + app-shells/bash" + +DEPEND="${RDEPEND} + doc? ( || ( =app-doc/doxygen-1.7.6.1[dot] ) ) + >=app-text/txt2tags-2.5 + virtual/pkgconfig" + +DOCS=(README NOTICE ChangeLog) + +src_configure() { + local GMX_DEV="OFF" GMX_DOUBLE="OFF" extra + + if use gromacs; then + has_version ">=sci-chemistry/gromacs-5" && GMX_DEV="ON" + has_version sci-chemistry/gromacs[double-precision] && GMX_DOUBLE="ON" + fi + + #to create man pages, build tree binaries are executed (bug #398437) + [[ ${CHOST} = *-darwin* ]] && \ + extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF" + + mycmakeargs=( + $(cmake-utils_use_with gromacs GMX) + -DWITH_GMX_DEVEL="${GMX_DEV}" + -DGMX_DOUBLE="${GMX_DOUBLE}" + ${extra} + -DWITH_RC_FILES=OFF + -DEXTERNAL_BOOST=ON + -DLIB=$(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 [ -n "${PV##*9999}" ]; then + dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" + fi + cd "${CMAKE_BUILD_DIR}" || die + cd share/doc || die + doxygen || die + dohtml -r html/* + fi + if use examples && [ -n "${PV##*9999}" ]; then + insinto "/usr/share/doc/${PF}/tutorials" + docompress -x "/usr/share/doc/${PF}/tutorials" + doins -r "${WORKDIR}/${PN}-tutorials-${PV}"/* + 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 +} -- cgit v1.2.3-65-gdbad