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authorRobin H. Johnson <robbat2@gentoo.org>2015-08-08 13:49:04 -0700
committerRobin H. Johnson <robbat2@gentoo.org>2015-08-08 17:38:18 -0700
commit56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch)
tree3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/votca-csg
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proj/gentoo: Initial commit
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 <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/votca-csg')
-rw-r--r--sci-chemistry/votca-csg/Manifest6
-rw-r--r--sci-chemistry/votca-csg/metadata.xml17
-rw-r--r--sci-chemistry/votca-csg/votca-csg-1.2.2.ebuild87
-rw-r--r--sci-chemistry/votca-csg/votca-csg-1.2.4-r1.ebuild96
4 files changed, 206 insertions, 0 deletions
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 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+ <maintainer>
+ <email>ottxor@gentoo.org</email>
+ <name>Christoph Junghans</name>
+ </maintainer>
+ <use>
+ <flag name='gromacs'>Add support for gromacs file formats through <pkg>sci-chemistry/gromacs</pkg></flag>
+ <flag name='system-boost'>Use system boost (<pkg>dev-libs/boost</pkg>) instead of bundled one</flag>
+ <flag name='extras'>Pull in extra applications from <pkg>sci-chemistry/votca-csg-apps</pkg></flag>
+ </use>
+ <upstream>
+ <remote-id type="google-code">votca</remote-id>
+ </upstream>
+</pkgmetadata>
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[-nodot] >=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[-nodot] >=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
+}