diff options
Diffstat (limited to 'sci-chemistry/namd/namd-2.7.ebuild')
| -rw-r--r-- | sci-chemistry/namd/namd-2.7.ebuild | 36 |
1 files changed, 22 insertions, 14 deletions
diff --git a/sci-chemistry/namd/namd-2.7.ebuild b/sci-chemistry/namd/namd-2.7.ebuild index d8de799..07a0ec8 100644 --- a/sci-chemistry/namd/namd-2.7.ebuild +++ b/sci-chemistry/namd/namd-2.7.ebuild @@ -2,8 +2,6 @@ # Distributed under the terms of the GNU General Public License v2 # $Header: $ -# This is broken and needs work. - inherit eutils toolchain-funcs flag-o-matic DESCRIPTION="A powerful and highly parallelized molecular dynamics code" @@ -28,7 +26,7 @@ DEPEND="|| ( app-shells/csh =sci-libs/fftw-2* =dev-lang/tcl-8.4*" -CHARM="charm-9999" +# CHARM="charm-9999" # NAMD_ARCH="Linux-amd64-g++" NAMD_ARCH="Linux-x86_64-g++" @@ -46,21 +44,31 @@ pkg_nofetch() { echo } -src_prepare() { - # apply a few small fixes to make NAMD compile and +src_unpack() { + unpack ${A} + cd "${WORKDIR}" +# apply a few small fixes to make NAMD compile and # link to the proper libraries -# epatch "${FILESDIR}"/namd-2.6-gentoo-amd64.patch - + epatch "${FILESDIR}"/namd-2.7-gentoo.patch + cd "${S}" # proper compiler and cflags -# sed -e "s/g++/$(tc-getCXX)/" \ -# -e "s/CXXOPTS = -O3 -march=pentiumpro -ffast-math -static/CXXOPTS = ${CXXFLAGS}/" \ -# -e "s/gcc/$(tc-getCC)/" \ -# -e "s/COPTS = -O3 -march=pentiumpro -ffast-math -static/COPTS = ${CFLAGS}/" \ -# -i arch/${NAMD_ARCH}-g++.arch || \ -# die "Failed to setup ${NAMD_ARCH}.arch" + sed -e "s/g++/$(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 tcl fftw ${NAMD_ARCH} + ./config ${NAMD_ARCH} } src_compile() { |