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Diffstat (limited to 'sci-chemistry/namd/namd-2.7.ebuild')
-rw-r--r--sci-chemistry/namd/namd-2.7.ebuild103
1 files changed, 0 insertions, 103 deletions
diff --git a/sci-chemistry/namd/namd-2.7.ebuild b/sci-chemistry/namd/namd-2.7.ebuild
deleted file mode 100644
index baa6b7c..0000000
--- a/sci-chemistry/namd/namd-2.7.ebuild
+++ /dev/null
@@ -1,103 +0,0 @@
-# Copyright 1999-2006 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-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="2.7b1"
-
-SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz"
-
-SLOT="0"
-KEYWORDS="~amd64"
-IUSE=""
-
-RESTRICT="fetch"
-
-DEPEND="|| ( app-shells/csh
- app-shells/tcsh )
- virtual/libc
- sys-cluster/charm
- =sci-libs/fftw-2*
- dev-lang/tcl"
-
-# CHARM="charm-9999"
-# NAMD_ARCH="Linux-amd64-g++"
-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 ${A}
- cd "${WORKDIR}"
-# apply a few small fixes to make NAMD compile and
- # link to the proper libraries
- epatch "${FILESDIR}"/namd-2.7-gentoo.patch
- cd "${S}"
- # proper compiler and cflags
- sed -e "s/g++/$(tc-getCXX)/" \
- -e "s/CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/CXXOPTS = ${CXXFLAGS}/" \
- -e "s/gcc/$(tc-getCC)/" \
- -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-6.1.2/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
-}