/gromacs, Molecular dynamics package
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:
] Required to build:
] Package options
: mpi, x11
Master sites: SHA1:
Version history: (Expand)
- (2016-07-09) Updated to version: gromacs-4.5.5nb6
- (2015-06-12) Updated to version: gromacs-4.5.5nb5
- (2014-05-30) Updated to version: gromacs-4.5.5nb4
- (2013-06-01) Updated to version: gromacs-4.5.5nb3
- (2012-10-04) Updated to version: gromacs-4.5.5nb2
- (2012-06-14) Updated to version: gromacs-4.5.5nb1
CVS history: (Expand)
| 2016-07-09 08:39:18 by Thomas Klausner | Files touched by this commit (1068) | |
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) |
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) |
Recursive PKGREVISION bump for all packages mentioning 'perl',
having a PKGNAME of p5-*, or depending such a package,
| 2014-05-30 01:38:20 by Thomas Klausner | Files touched by this commit (3049) |
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) |
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) |
Skip the interpreter ckeck on the demo script.
| 2013-04-01 10:00:16 by Steven Drake | Files touched by this commit (2) |
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) |
Bump all packages that use perl, or depend on a p5-* package, or
are called p5-*.
I hope that's all of them.