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Bug#228319: marked as done (ITP: gromacs -- versatile package to perform molecular dynamics [med-bio])

Your message dated Sun, 26 Mar 2006 09:14:36 -0800
with message-id <E1FNYp2-0006W4-Sc@spohr.debian.org>
and subject line Bug#252101: fixed in gromacs 3.3-1
has caused the attached Bug report to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

(NB: If you are a system administrator and have no idea what I am
talking about this indicates a serious mail system misconfiguration
somewhere.  Please contact me immediately.)

Debian bug tracking system administrator
(administrator, Debian Bugs database)
--- Begin Message --- 
Package: wnpp
Severity: wishlist

* Package name    : gromacs
  Version         : 3.1.4
  Upstream Author : Several people (see http://www.gromacs.org/people/index.php)
* URL             : http://www.gromacs.org/
* License         : GPL
  Description     : world's fastes molecular dynamics

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.

GROMACS supports all the usual algorithms you expect from a modern
molecular dynamics implementation, (check the online reference or
manual for details).

-- System Information:
Debian Release: testing/unstable
Architecture: i386
Kernel: Linux wr-linux02 2.4.22 #1 Mi Nov 19 08:37:40 CET 2003 i686
Locale: LANG=de_DE@euro, LC_CTYPE=de_DE@euro (ignored: LC_ALL set to de_DE@euro)

--- End Message ---
--- Begin Message --- 
Source: gromacs
Source-Version: 3.3-1

We believe that the bug you reported is fixed in the latest version of
gromacs, which is due to be installed in the Debian FTP archive:

gromacs-dev_3.3-1_i386.deb
  to pool/main/g/gromacs/gromacs-dev_3.3-1_i386.deb
gromacs-doc_3.3-1_all.deb
  to pool/main/g/gromacs/gromacs-doc_3.3-1_all.deb
gromacs-lam_3.3-1_i386.deb
  to pool/main/g/gromacs/gromacs-lam_3.3-1_i386.deb
gromacs-mpich_3.3-1_i386.deb
  to pool/main/g/gromacs/gromacs-mpich_3.3-1_i386.deb
gromacs_3.3-1.diff.gz
  to pool/main/g/gromacs/gromacs_3.3-1.diff.gz
gromacs_3.3-1.dsc
  to pool/main/g/gromacs/gromacs_3.3-1.dsc
gromacs_3.3-1_i386.deb
  to pool/main/g/gromacs/gromacs_3.3-1_i386.deb
gromacs_3.3.orig.tar.gz
  to pool/main/g/gromacs/gromacs_3.3.orig.tar.gz



A summary of the changes between this version and the previous one is
attached.

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to 252101@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Nicholas Breen <nbreen@ofb.net> (supplier of updated gromacs package)

(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmaster@debian.org)


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

Format: 1.7
Date: Thu, 16 Mar 2006 23:00:13 -0800
Source: gromacs
Binary: gromacs gromacs-lam gromacs-dev gromacs-mpich gromacs-doc
Architecture: source i386 all
Version: 3.3-1
Distribution: unstable
Urgency: low
Maintainer: Nicholas Breen <nbreen@ofb.net>
Changed-By: Nicholas Breen <nbreen@ofb.net>
Description: 
 gromacs    - Molecular dynamics simulator, with building and analysis tools
 gromacs-dev - GROMACS molecular dynamics sim, development kit
 gromacs-doc - GROMACS molecular dynamics sim, documentation
 gromacs-lam - Molecular dynamics sim, binaries for LAM-MPI parallelization
 gromacs-mpich - Molecular dynamics sim, binaries for MPICH parallelization
Closes: 228319 252101
Changes: 
 gromacs (3.3-1) unstable; urgency=low
 .
   * Initial Debian release.  (Closes: #228319, #252101)
Files: 
 69ca4efac6260b371b2715d8e672db27 780 science extra gromacs_3.3-1.dsc
 99ea6f25a89f1511f51c350a66a2fdc4 5906342 science extra gromacs_3.3.orig.tar.gz
 57cb2f57b0e740c21746d36184386662 2204977 science extra gromacs_3.3-1.diff.gz
 5ad9bbb08805effc11f39d19787ce994 2542278 science extra gromacs-doc_3.3-1_all.deb
 1e68e05788cb8b5262c1bde79316e80f 3513716 science extra gromacs_3.3-1_i386.deb
 dabf269835a78a643b6e0349b26f0257 5377818 science extra gromacs-dev_3.3-1_i386.deb
 f57988ac58445fee2eecb527cf004e96 1558976 science extra gromacs-mpich_3.3-1_i386.deb
 be78981ba850b88d8595d66017ac1b22 1321990 science extra gromacs-lam_3.3-1_i386.deb

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