View the most recent changes for the gromacs port at: gromacs.darwinports.com/diff
Scroll down toward the bottom of the page to get installation instructions for gromacs.
The raw portfile for gromacs 4.0.5 is located here:
http://gromacs.darwinports.com/dports/science/gromacs/Portfile
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Check for any related Fink projects here: pdb.finkproject.org/pdb/package.php/gromacs

The gromacs Portfile 59359 2009-10-13 23:50:54Z adfernandes macports.org $

PortSystem 1.0
Name: gromacs
Version: 4.0.5
Category: science math
Maintainers: adfernandes openmaintainer
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.
Platform: darwin

Homepage: http://www.gromacs.org/
Master Sites: ftp://ftp.gromacs.org/pub/${name} http://cluster.earlham.edu/detail/home/charliep/packages

Checksums: sha1 9969aae6f77e2216add22a7b29805c4de8df649f

depends_build port:gcc42
configure.compiler macports-gcc-4.2

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
}

Variant: gcc43 description {build with macports-gcc-4.3} {
depends_build-delete port:gcc42
depends_build-append port:gcc43
configure.compiler macports-gcc-4.3
}

If you haven't already installed Darwin Ports, you can find easy instructions for doing so at the main Darwin Ports page.
Once Darwin Ports has been installed, in a terminal window and while online, type the following and hit return:

%  cd /opt/local/bin/portslocation/dports/gromacs
%  sudo port install gromacs  
Password: 

You will then be prompted for your root password, which you should enter. You may have to wait for a few minutes while the software is retrieved from the network and installed for you. Y ou should see something that looks similar to:

--->  Fetching gromacs
--->  Verifying checksum for gromacs
--->  Extracting gromacs
--->  Configuring gromacs
--->  Building gromacs with target all

--->  Staging gromacs into destroot

--->  Installing gromacs

- Make sure that you do not close the terminal window while Darwin Ports is working. Once the software has been installed, you can find further information about using gromacs with these commands:

%  man gromacs
%  apropos gromacs
%  which gromacs
%  locate gromacs

 Where to find more information: