gromacs  most recent diff

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 3.3.1 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

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# $Id: Portfile 30251 2007-10-23 02:18:30Z jmpp macports.org $

PortSystem 1.0
Name: gromacs
Version: 3.3.1
Category: science math
Maintainers: nomaintainer
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}

checksums md5 1af34a99950813ca7cf893253c447cd1

depends_lib port:fftw-3-single

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

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: