./biology/gromacs, Molecular dynamics package

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Branch: CURRENT, Version: 4.5.5nb10, Package name: gromacs-4.5.5nb10, 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] [pkgtools/cwrappers]

Package options: mpi, x11

Master sites:

SHA1: ce4b4f9a0453dd2ffea72f28ea0bc7bb7a72f479
RMD160: a3d40c3ac6ec9ee3e4607bd35afca1dd4715154e
Filesize: 10154.471 KB

Version history: (Expand)


CVS history: (Expand)


   2020-08-31 20:13:29 by Thomas Klausner | Files touched by this commit (3631) | Package updated
Log message:
*: bump PKGREVISION for perl-5.32.
   2020-06-02 10:25:05 by Adam Ciarcinski | Files touched by this commit (1689)
Log message:
Revbump for icu
   2019-11-02 23:09:01 by Roland Illig | Files touched by this commit (10)
Log message:
biology: align variable assignments

pkglint -Wall -F --only aligned --only indent -r
   2019-08-11 15:25:21 by Thomas Klausner | Files touched by this commit (3557) | Package updated
Log message:
Bump PKGREVISIONs for perl 5.30.0
   2018-08-22 11:48:07 by Thomas Klausner | Files touched by this commit (3558)
Log message:
Recursive bump for perl5-5.28.0
   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.