# $Id$

PortSystem 1.0
name		gromacs
version		4.0
categories	science math
maintainers	mac.com:mlund
description	The World's fastest Molecular Dynamics package
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

homepage	http://www.gromacs.org/
master_sites	ftp://ftp.gromacs.org/pub/${name} \
                http://cluster.earlham.edu/detail/home/charliep/packages

checksums       md5 bfc18a2ecc998f542438316b9148b7ff \
                sha1 5c8f0c3bfa2950bb936b4bfc5e9241028ffb8f1d \
                rmd160 3156220f6b98ec4c04c264c8f798c616ce668a07 

depends_lib 	port:fftw-3-single port:openmotif

configure.args  --bindir=${prefix}/lib/${name}/bin --with-x

variant nox description {Disable X11/Motif GUI} {
  depends_lib-delete       port:openmotif
  configure.args-delete    --with-x
  configure.args-append    --without-x
} 
variant double description {Double precision floating-point arithmetics} {
  depends_lib-delete       port:fftw-3-single
  depends_lib-append       port:fftw-3
  configure.args-append    --enable-double
}
platform darwin powerpc {
  depends_build-append         port:gcc42
  configure.compiler       macports-gcc-4.2
}