Portfile

# $Id: Portfile 20456 2006-11-03 15:10:31Z blair@macports.org $

PortSystem 1.0
name gromacs
version 3.3.1
categories science math
maintainers nomaintainer@macports.org
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}

checksums md5 1af34a99950813ca7cf893253c447cd1

depends_lib port:fftw-3-single

configure.env LDFLAGS="-L${prefix}/lib" \
CPPFLAGS="-I${prefix}/include"

configure.args --exec-prefix=${prefix}/lib/${name} \
--mandir=${prefix}/share/man