./biology/gromacs, Molecular dynamics package

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Branch: CURRENT, Version: 4.5.5nb6, Package name: gromacs-4.5.5nb6, Maintainer: pkgsrc-users

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,
lipids and nucleic acids 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.


Required to run:
[textproc/libxml2] [lang/perl5] [math/fftw] [math/gsl] [parallel/mpi-ch]

Required to build:
[pkgtools/x11-links]

Package options: mpi, x11

Master sites:

SHA1: ce4b4f9a0453dd2ffea72f28ea0bc7bb7a72f479
RMD160: a3d40c3ac6ec9ee3e4607bd35afca1dd4715154e
Filesize: 10154.471 KB

Version history: (Expand)


CVS history: (Expand)


   2016-07-09 08:39:18 by Thomas Klausner | Files touched by this commit (1068) | Package updated
Log message:
Bump PKGREVISION for perl-5.24.0 for everything mentioning perl.
   2015-11-02 19:42:23 by Alistair G. Crooks | Files touched by this commit (38)
Log message:
Add SHA512 digests for distfiles for biology category.

Existing SHA1 digests verified, all found to be the same on the
machine holding the existing distfiles (morden).  Existing SHA1
digests retained for now as an audit trail.
   2015-06-12 12:52:19 by Thomas Klausner | Files touched by this commit (3152)
Log message:
Recursive PKGREVISION bump for all packages mentioning 'perl',
having a PKGNAME of p5-*, or depending such a package,
for perl-5.22.0.
   2014-05-30 01:38:20 by Thomas Klausner | Files touched by this commit (3049)
Log message:
Bump for perl-5.20.0.
Do it for all packages that
* mention perl, or
* have a directory name starting with p5-*, or
* depend on a package starting with p5-
like last time, for 5.18, where this didn't lead to complaints.
Let me know if you have any this time.
   2013-05-31 14:42:58 by Thomas Klausner | Files touched by this commit (2880)
Log message:
Bump all packages for perl-5.18, that
a) refer 'perl' in their Makefile, or
b) have a directory name of p5-*, or
c) have any dependency on any p5-* package

Like last time, where this caused no complaints.
   2013-04-01 10:01:29 by Steven Drake | Files touched by this commit (1)
Log message:
Skip the interpreter ckeck on the demo script.
   2013-04-01 10:00:16 by Steven Drake | Files touched by this commit (2)
Log message:
Use host_alias for file paths (as it doesn't contain '-gnu').
   2012-10-03 23:59:10 by Thomas Klausner | Files touched by this commit (2798)
Log message:
Bump all packages that use perl, or depend on a p5-* package, or
are called p5-*.

I hope that's all of them.