diff options
| -rw-r--r-- | sci-chemistry/votca-csg/ChangeLog | 4 | ||||
| -rw-r--r-- | sci-chemistry/votca-csg/Manifest | 14 | ||||
| -rw-r--r-- | sci-chemistry/votca-csg/votca-csg-9999.ebuild | 71 |
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). " |