# Copyright 1999-2004 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.2.1.ebuild,v 1.2 2004/12/29 03:05:38 ribosome Exp $ inherit eutils IUSE="mpi xml2" DESCRIPTION="The ultimate molecular dynamics simulation package" SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" HOMEPAGE="http://www.gromacs.org/" LICENSE="GPL-2" SLOT="0" KEYWORDS="x86 amd64" #mpi is a local USE flag now #May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi) DEPEND="=sci-libs/fftw-2.1* mpi? ( >=sys-cluster/lam-mpi-6.5.6 ) >=sys-devel/binutils-2.10.91.0.2 app-shells/tcsh xml2? ( dev-libs/libxml2 )" src_compile() { #!!!Please note!!! #for troublesome work gromacs should be compiled with the same mpi setting as fftw. #Unfortunately portage cannot trace optional dependencies of dependencies at present. #Until this (planned) feature is completed, please try to do corresponding check yourself. local myconf # Enable asm on Alphas if [ "${ARCH}" = "alpha" ] then myconf="${myconf} --enable-axp-asm" fi # static should work but something's broken. # gcc spec file may be screwed up. # Static linking should try -lgcc instead of -lgcc_s. # For more info: # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html econf \ --enable-fortran \ --datadir=/usr/share/${P} \ --bindir=/usr/bin \ --libdir=/usr/lib \ `use_with xml2 xml` \ `use_enable mpi` \ ${myconf} || die "configure failed" # `use_enable static all-static` \ emake || die } src_install () { make DESTDIR=${D} install || die # Install documentation. dodoc AUTHORS COPYING INSTALL README #move html docs under /usr/share/doc #and leave examples and templates under /usr/gromacs... mv ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF} }