./wip/gromacs, Molecular dynamics package

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Branch: CURRENT, Version: 2019nb1, Package name: gromacs-2019nb1, Maintainer: bacon

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/fftwf] [math/gsl] [parallel/mpi-ch] [parallel/hwloc]

Required to build:
[pkgtools/x11-links] [pkgtools/cwrappers]

Package options: mpi, x11

Master sites:

SHA1: 89155f31489be22593b98d403113d5eb5881a792
RMD160: 598f0b3b797a801ff5b4acef38cc248f69656fc2
Filesize: 32645.239 KB

Version history: (Expand)


CVS history: (Expand)


   2010-03-15 15:13:02 by Aleksej Saushev | Files touched by this commit (8) | Package removed
Log message:
Remove gromacs, imported into pkgsrc as biology/gromacs.
   2010-03-15 14:50:35 by Aleksej Saushev | Files touched by this commit (1)
Log message:
Expand description.

   2010-03-15 14:49:32 by Aleksej Saushev | Files touched by this commit (1)
Log message:
Uses Perl.

   2010-03-15 14:38:44 by Aleksej Saushev | Files touched by this commit (5)
Log message:
Pre-import cleaning:
- reset maintainer (MIA?);
- set licence;
- replace "==" usage.
   2010-01-12 14:51:21 by Aleksej Saushev | Files touched by this commit (5)
Log message:
Add X support (optional, enabled by default),
reuse GSL and libxml2.
   2010-01-12 13:26:22 by Aleksej Saushev | Files touched by this commit (2) | Package updated
Log message:
Update to GROMACS 4.0.7

   2009-10-11 12:44:40 by Thomas Klausner | Files touched by this commit (286)
Log message:
Remove obsolete @dirrm lines.
   2009-03-08 17:41:09 by Aleksej Saushev | Files touched by this commit (2) | Package updated
Log message:
Update to GROMACS 4.0.4