# $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