# $Id: Portfile,v 1.9 2004/12/02 18:02:50 gwright Exp $

PortSystem 1.0
name		gromacs
version		3.1.5_pre1
revision	0
categories	science math
maintainers	darwinports@opendarwin.org
description	The World's fastest Molecular Dynamics
long_description	GROMACS is a versatile package to perform molecular \
	dynamics, i.e. simulate the Newtonian equations of motion for \
	systems with hundreds to millions of particles. It is primarily \
	designed for biochemical molecules like proteins and lipids that \
	have a lot of complicated bonded interactions, but since GROMACS is \
	extremely fast at calculating the nonbonded interactions (that \
	usually dominate simulations) many groups are also using it for \
	research on non-biological systems, e.g. polymers.
platforms	darwin
master_sites	ftp://ftp.gromacs.org/pub/beta/
checksums	md5 edfca24da79d0e89eb34548098909fd3
depends_lib 	lib:sfftw:fftw-single
configure.env	LDFLAGS="-L${prefix}/lib" \
		CPPFLAGS="-I${prefix}/include"
configure.args	--exec-prefix=${prefix}/gromacs