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ottxor 13/11/30 04:29:21 |
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|
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Modified: ChangeLog |
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Added: namd-2.9-r1.ebuild |
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Log: |
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clean up (fftw3, ldflags, no tcsh) |
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|
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(Portage version: 2.2.7/cvs/Linux x86_64, signed Manifest commit with key C2000586) |
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|
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Revision Changes Path |
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1.18 sci-chemistry/namd/ChangeLog |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/namd/ChangeLog?rev=1.18&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/namd/ChangeLog?rev=1.18&content-type=text/plain |
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diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/namd/ChangeLog?r1=1.17&r2=1.18 |
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Index: ChangeLog |
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=================================================================== |
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RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v |
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retrieving revision 1.17 |
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retrieving revision 1.18 |
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diff -u -r1.17 -r1.18 |
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--- ChangeLog 18 Oct 2013 16:25:04 -0000 1.17 |
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+++ ChangeLog 30 Nov 2013 04:29:21 -0000 1.18 |
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@@ -1,6 +1,11 @@ |
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# ChangeLog for sci-chemistry/namd |
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# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 |
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-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v 1.17 2013/10/18 16:25:04 ottxor Exp $ |
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+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v 1.18 2013/11/30 04:29:21 ottxor Exp $ |
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+ |
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+*namd-2.9-r1 (30 Nov 2013) |
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+ |
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+ 30 Nov 2013; Christoph Junghans <ottxor@g.o> +namd-2.9-r1.ebuild: |
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+ clean up (fftw3, ldflags, no tcsh) |
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|
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*namd-2.9 (18 Oct 2013) |
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1.1 sci-chemistry/namd/namd-2.9-r1.ebuild |
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/namd/namd-2.9-r1.ebuild?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/namd/namd-2.9-r1.ebuild?rev=1.1&content-type=text/plain |
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|
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Index: namd-2.9-r1.ebuild |
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=================================================================== |
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# Copyright 1999-2013 Gentoo Foundation |
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# Distributed under the terms of the GNU General Public License v2 |
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# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.9-r1.ebuild,v 1.1 2013/11/30 04:29:21 ottxor Exp $ |
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EAPI=5 |
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|
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inherit eutils multilib toolchain-funcs flag-o-matic |
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|
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DESCRIPTION="A powerful and highly parallelized molecular dynamics code" |
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LICENSE="namd" |
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HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/" |
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|
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MY_PN="NAMD" |
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SRC_URI="${MY_PN}_${PV}_Source.tar.gz" |
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SLOT="0" |
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KEYWORDS="~amd64" |
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IUSE="" |
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RESTRICT="fetch" |
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|
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DEPEND=" |
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|| ( >=sys-cluster/charm-6.5.1-r2 <=sys-cluster/charm-6.5.1-r1[static-libs] ) |
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sci-libs/fftw:3.0 |
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dev-lang/tcl" |
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|
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RDEPEND=${DEPEND} |
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|
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NAMD_ARCH="Linux-x86_64-g++" |
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|
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NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD" |
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|
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S="${WORKDIR}/${MY_PN}_${PV}_Source" |
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|
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pkg_nofetch() { |
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echo |
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einfo "Please download ${MY_PN}_${PV}_Source.tar.gz from" |
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einfo "${NAMD_DOWNLOAD}" |
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einfo "after agreeing to the license and then move it to" |
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einfo "${DISTDIR}" |
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einfo "Be sure to select the ${PV} version!" |
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echo |
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} |
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|
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src_prepare() { |
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CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3) |
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|
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# apply a few small fixes to make NAMD compile and |
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# link to the proper libraries |
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epatch "${FILESDIR}"/namd-2.9-gentoo.patch |
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epatch "${FILESDIR}"/namd-2.7-iml-dec.patch |
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sed \ |
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-e "s:charm-.\+:charm-${CHARM_VERSION}:" \ |
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-i Make.charm || die |
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|
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# Remove charm distribution. We don't need it. |
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rm -f charm-6.4.0.tar || die |
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|
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# proper compiler and cflags |
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sed \ |
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-e "s/g++.*/$(tc-getCXX)/" \ |
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-e "s/gcc.*/$(tc-getCC)/" \ |
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-e "s/CXXOPTS = .*/CXXOPTS = ${CXXFLAGS} ${LDFLAGS}/" \ |
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-e "s/COPTS = .*/COPTS = ${CFLAGS} ${LDFLAGS}/" \ |
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-i arch/${NAMD_ARCH}.arch || die |
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|
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sed \ |
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-e "s/gentoo-libdir/$(get_libdir)/g" \ |
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-e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \ |
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-i Makefile || die "Failed gentooizing Makefile." |
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sed -e "s@/lib@/$(get_libdir)@g" -e '/FFTDIR=/s@=.*@=/usr@' -i arch/Linux-x86_64.fftw3 || die |
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sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || die |
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} |
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|
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src_configure() { |
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# configure |
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./config ${NAMD_ARCH} --with-fftw3 --charm-arch . || die |
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} |
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|
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src_compile() { |
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# build namd |
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cd "${S}/${NAMD_ARCH}" |
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emake |
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} |
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|
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src_install() { |
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dodoc announce.txt license.txt notes.txt |
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cd "${S}/${NAMD_ARCH}" |
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|
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# the binaries |
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dobin ${PN}2 psfgen flipbinpdb flipdcd |
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} |
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|
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pkg_postinst() { |
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echo |
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einfo "For detailed instructions on how to run and configure" |
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einfo "NAMD please consults the extensive documentation at" |
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einfo "http://www.ks.uiuc.edu/Research/namd/" |
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einfo "and the NAMD tutorials available at" |
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einfo "http://www.ks.uiuc.edu/Training/Tutorials/" |
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einfo "Have fun :)" |
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echo |
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} |
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