diff options
Diffstat (limited to 'sci-chemistry/namd/namd-2.7_beta2.ebuild')
-rw-r--r-- | sci-chemistry/namd/namd-2.7_beta2.ebuild | 112 |
1 files changed, 0 insertions, 112 deletions
diff --git a/sci-chemistry/namd/namd-2.7_beta2.ebuild b/sci-chemistry/namd/namd-2.7_beta2.ebuild deleted file mode 100644 index bc90354b4c61..000000000000 --- a/sci-chemistry/namd/namd-2.7_beta2.ebuild +++ /dev/null @@ -1,112 +0,0 @@ -# Copyright 1999-2010 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2.ebuild,v 1.2 2010/06/24 20:37:03 jlec Exp $ - -inherit eutils toolchain-funcs flag-o-matic - -DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" -HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/" - -MY_PN="NAMD" -MY_PV="2.7b2" - -SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz" - -SLOT="0" -KEYWORDS="~amd64" -IUSE="" - -RESTRICT="fetch" - -DEPEND=" - app-shells/tcsh - sys-cluster/charm - =sci-libs/fftw-2* - dev-lang/tcl" - -RDEPEND=${DEPEND} - -NAMD_ARCH="Linux-x86_64-g++" - -NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD" - -S="${WORKDIR}/${MY_PN}_${MY_PV}_Source" - -pkg_nofetch() { - echo - einfo "Please download ${MY_PN}_${MY_PV}_Source.tar.gz from" - einfo "${NAMD_DOWNLOAD}" - einfo "after agreeing to the license and then move it to" - einfo "${DISTDIR}" - einfo "Be sure to select the ${MY_PV} version!" - echo -} - -src_unpack() { - unpack ${A} - cd "${S}" - - CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3) - - # apply a few small fixes to make NAMD compile and - # link to the proper libraries - epatch "${FILESDIR}"/namd-2.7_beta2-gentoo.patch - epatch "${FILESDIR}"/namd-2.7-ldflags.patch - epatch "${FILESDIR}"/namd-2.7-iml-dec.patch - sed -e "s:charm-6.1.3:charm-${CHARM_VERSION}:" \ - Make.charm || \ - die - - rm -f charm-6.1.3.tar || die - - # proper compiler and cflags - sed -e "s/g++/$(tc-getCXX)/" \ - -e "s/gcc/$(tc-getCC)/" \ - -e "s/CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/CXXOPTS = ${CXXFLAGS}/" \ - -e "s/COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/COPTS = ${CFLAGS}/" \ - -i arch/${NAMD_ARCH}.arch || \ - die "Failed to setup ${NAMD_ARCH}.arch" - - sed -e "s/gentoo-libdir/$(get_libdir)/g" \ - -e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \ - -i Makefile || die "Failed gentooizing Makefile." - sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.fftw || \ - die "Failed gentooizing Linux-x86_64.fftw." - sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || \ - die "Failed gentooizing Linux-x86_64.tcl." - - # configure - ./config ${NAMD_ARCH} -} - -src_compile() { - # build namd - cd "${S}/${NAMD_ARCH}" - emake || die "Failed to build namd" -} - -src_install() { - cd "${S}/${NAMD_ARCH}" - - # the binaries - dobin ${PN}2 psfgen flipbinpdb flipdcd || \ - die "Failed to install binaries" - - cd "${S}" - - # some docs - dodoc announce.txt license.txt notes.txt || \ - die "Failed to install docs" -} - -pkg_postinst() { - echo - einfo "For detailed instructions on how to run and configure" - einfo "NAMD please consults the extensive documentation at" - einfo "http://www.ks.uiuc.edu/Research/namd/" - einfo "and the NAMD tutorials available at" - einfo "http://www.ks.uiuc.edu/Training/Tutorials/" - einfo "Have fun :)" - echo -} |