# Copyright 1999-2006 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.1.ebuild,v 1.1 2006/08/08 02:54:41 markusle Exp $ inherit eutils fortran IUSE="altivec mpi xml" 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 ~ppc64" # gromacs uses fortran intrinsics such as RSHIFT that # are currently missing from gfortran; hence we need # to require g77 for the time being (see bug #141672). FORTRAN="g77" #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 xml? ( dev-libs/libxml2 )" pkg_setup() { # !!!Please note!!! # for troublesome work gromacs should be compiled with the same mpi setting # as fftw. if use mpi; then if ! built_with_use =sci-libs/fftw-2.1* mpi; then die "=sci-libs/fftw-2.1* must be built with USE=mpi." fi fi fortran_pkg_setup } src_unpack() { unpack ${A} if use ppc64 && use altivec ; then epatch ${FILESDIR}/${PN}-ppc64-altivec.patch fi } src_compile() { # 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 xml) \ $(use_enable mpi) \ $(use_enable altivec ppc-altivec) \ $(use_enable alpha axp-asm) || 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} }