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authorChristoph Junghans <kleiner_otti@gmx.de>2010-03-20 18:31:02 +0100
committerChristoph Junghans <kleiner_otti@gmx.de>2010-03-20 18:31:02 +0100
commit374dc05722341e0418edb8004fcbc9bba21badf6 (patch)
tree84a2bb60b4c0787ee4523ddc679b8077e919e25e
parentsci-libs/votca-tools: update (diff)
downloadsci-374dc05722341e0418edb8004fcbc9bba21badf6.tar.gz
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sci-chemistry/votca-csg: update
(Portage version: 2.1.7.17/git/Linux i686) (Signed Manifest commit)
-rw-r--r--sci-chemistry/votca-csg/ChangeLog4
-rw-r--r--sci-chemistry/votca-csg/Manifest14
-rw-r--r--sci-chemistry/votca-csg/votca-csg-9999.ebuild71
3 files changed, 62 insertions, 27 deletions
diff --git a/sci-chemistry/votca-csg/ChangeLog b/sci-chemistry/votca-csg/ChangeLog
index 13e1cf031..72a6cb61a 100644
--- a/sci-chemistry/votca-csg/ChangeLog
+++ b/sci-chemistry/votca-csg/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 20 Mar 2010; Christoph Junghans <kleiner_otti@gmx.de>
+ votca-csg-9999.ebuild:
+ update ebuild
+
19 Mar 2010; Alexey Shvetsov <alexxy@gentoo.org> votca-csg-1.0_rc5.ebuild:
Fix smal typo
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index 1988f73ab..3970769f4 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,8 +1,18 @@
+-----BEGIN PGP SIGNED MESSAGE-----
+Hash: SHA1
+
AUX votca-csg-1.0_rc5-aclocal.patch 525 RMD160 d44acc92d7fbdaefc5c1b310f483bd2be1535ccd SHA1 523e01b33a2324dc6f2f534de579ff91fafacf12 SHA256 d23bc68bedbe830550a2c9e279636155b00a0394ddbf584b738f0dde8cc5fb8d
AUX votca-csg-1.0_rc5-gcc-4.4.patch 1083 RMD160 c2970d55ab29c4a9cb024c7a87be4c7a5efdd973 SHA1 4ea316d997992fd6e2bb66fa0a8af11565dece3e SHA256 e28ae9a8f63726b4d49716f7230f9673723d1bb21bb60a7784990bb8d5071edd
AUX votca-csg-1.0_rc5-libgmx.patch 1709 RMD160 7a7e5ff369615abcc818e17747a6c5f53faf314f SHA1 53cfdf83e585d0cb86d9050cd424502475457c63 SHA256 efd58c9500bd2a4b397910554b046ebf2217091c525fedb01febe46103bdd889
DIST votca-csg-1.0_rc5.tar.gz 449302 RMD160 e3970571b3a7776319f8992795ae05e7435a2e7c SHA1 83abfc364c3055f13f0f9935e218f351bd8f36d4 SHA256 a297576bc7e53b1d02a47c13a09278212fafa265b6db8fdd408915834b86b189
EBUILD votca-csg-1.0_rc5.ebuild 2437 RMD160 4299c59b7cb4ef318212e51274d8816b5e4b4701 SHA1 acc418edab6af78ed3893ba97e22389f6e679191 SHA256 fd48d7caf54b8679d3a685cbe9a8b5b9232ae23dfaefb65a64b4764ebf478b19
-EBUILD votca-csg-9999.ebuild 1565 RMD160 5c350a8d2af4dbfcf5700d688f74364127e9a48e SHA1 64694ed9f678a8bbb5b2756505ae83f8ec891d91 SHA256 1245a99a058cec76ff542359da72a98797a56a84a737748eaf7bf8eb04a7d436
-MISC ChangeLog 2052 RMD160 661bc0f596ac64c6b28a443646eeb51d6b11967a SHA1 c0831bd8a27b6ffc4d32c274320e8bbc610e4ea1 SHA256 69b0ca900c0455b4b7cb71ae46eb52250012095fec95282506edd49dbf2cacb8
+EBUILD votca-csg-9999.ebuild 2504 RMD160 45bf9345c0aa375b10f2a1ff071ebe066b3241e0 SHA1 13f573473fe870719acd774c9a8c3ce6bf9549df SHA256 9fe612f26419e5a52ee59c9ed3c5b4fe4d11270b0009bb5371a702d413778e85
+MISC ChangeLog 2150 RMD160 1c47fc5ac426b5aa72b9f0c4d98b24d1e25c80cd SHA1 76f97c92c1d6ec282174a2f2794c6b7b0a09298e SHA256 3973a9173de2340023d0ac5e6a28eaa9cb7bfba2c445ba9b6f01efff57ae8c64
MISC metadata.xml 546 RMD160 e5816e43a053881feb0bbc26db802bb1e70fa7c3 SHA1 d125600ff598cb7b77c8c643c71a649317c5a9cb SHA256 458c98c044e8dcc1ad2bd4ee4dbceb75c6de83070991e349da12b9ab20c0ba7c
+-----BEGIN PGP SIGNATURE-----
+Version: GnuPG v2.0.14 (GNU/Linux)
+
+iEYEARECAAYFAkulBlYACgkQy0OE/ans1/n+EwCeOKcA0xhsFxPcTKkPZVsJwV+t
+JMQAnjqm5j+Vbe90rKzb5KbFD2AC9M1T
+=RuPU
+-----END PGP SIGNATURE-----
diff --git a/sci-chemistry/votca-csg/votca-csg-9999.ebuild b/sci-chemistry/votca-csg/votca-csg-9999.ebuild
index 18e4f0f6f..62835dfef 100644
--- a/sci-chemistry/votca-csg/votca-csg-9999.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-9999.ebuild
@@ -8,33 +8,29 @@ inherit autotools bash-completion mercurial
DESCRIPTION="Votca coarse-graining engine"
HOMEPAGE="http://www.votca.org"
-SRC_URI=""
LICENSE="Apache-2.0"
SLOT="0"
KEYWORDS="~x86 ~amd64"
-IUSE=""
-
-DEPEND="sci-libs/fftw:3.0
- dev-libs/libxml2
- sci-libs/gsl
- >=dev-libs/boost-1.33.1
- sci-libs/votca-tools
- !<=sci-chemistry/gromacs-4.0.5[mpi]
- =sci-chemistry/gromacs-4.0*
+IUSE="-boost doc static +single-precision double-precision"
+
+RDEPEND="dev-libs/expat
+ boost? ( >=dev-libs/boost-1.33.1
+ =sci-libs/votca-tools-${PV}[boost] )
+ !boost? ( =sci-libs/votca-tools-${PV}[-boost] )
+ single-precision? ( >sci-chemistry/gromacs-4.0.5[single-precision] )
+ double-precision? ( >sci-chemistry/gromacs-4.0.5[double-precision] )
dev-lang/perl
- app-shells/bash"
+ app-shells/bash
+ doc? ( >=app-text/txt2tags-2.5 )"
-RDEPEND="${DEPEND}"
+DEPEND="${RDEPEND}
+ dev-util/pkgconfig"
EHG_REPO_URI="https://csg.votca.googlecode.com/hg/"
S="${WORKDIR}/hg"
-pkg_setup() {
- export CPPFLAGS="${CPPFLAGS} -I/usr/include/gromacs"
-}
-
src_prepare() {
local dir
for dir in share/scripts/inverse; do
@@ -45,7 +41,24 @@ src_prepare() {
}
src_configure() {
- econf || die "econf failed"
+ local myconf="--disable-la-files"
+
+ if use single-precision && use double-precision; then
+ ewarn "${PN} has only support for single-precision OR double-precision"
+ ewarn "using double-precision"
+ myconf="${myconf} --with-libgmx=libgmx_d"
+ elif use single-precision; then
+ myconf="${myconf} --with-libgmx=libgmx"
+ elif use double-precision; then
+ myconf="${myconf} --with-libgmx=libgmx_d"
+ else
+ die "Nothing to compile, enable single-precision and/or double-precision"
+ fi
+
+ myconf="${myconf} $(use_with boost)"
+ myconf="${myconf} $(use_enable static all-static)"
+
+ econf ${myconf} || die "econf failed"
}
src_compile() {
@@ -55,17 +68,25 @@ src_compile() {
src_install() {
emake install DESTDIR="${D}" || die "emake install failed"
dodoc README NOTICE
-
- sed -n -e '/^CSG\(BIN\|SHARE\)/p' "${D}"/usr/bin/CSGRC.bash > "${T}/80votca-csg"
- doenvd "${T}/80votca-csg"
- rm -f "${D}"/usr/bin/CSGRC*
-
- dobashcompletion "${D}"/usr/share/votca/completion.bash ${PN}
- rm -f "${D}"/usr/share/votca/completion.bash
+ if use doc; then
+ emake CHANGELOG || die "emake CHANGELOG failed"
+ dodoc CHANGELOG
+ fi
+
+ sed -n -e '/^CSGSHARE/p' \
+ "${D}"/usr/share/votca/rc/csg.rc.bash >> "${T}/80${PN}"
+ doenvd "${T}/80${PN}"
+
+ #from votca-tools
+ if [ -f /usr/share/votca/completion.bash ]; then
+ cat /usr/share/votca/completion.bash > "${T}/completion.bash"
+ cat "${D}"/usr/share/votca/rc/csg-completion.bash >> "${T}/completion.bash"
+ dobashcompletion "${T}"/completion.bash ${PN}
+ fi
+ rm -f "${D}"/usr/share/votca/rc/*
}
pkg_postinst() {
- env-update && source /etc/profile
elog
elog "Please read and cite:"
elog "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "