Ubuntu
gromacs package

gromacs 4.5.4-2 source package in Ubuntu

Changelog

gromacs (4.5.4-2) unstable; urgency=low

  * control: remove obsolete Build-Depends and Suggests on libice-dev,
    libsm-dev, libxext-dev, libxp-dev, libxt-dev.  Update Standards-Version
    to 3.9.2.
  * patches/30_git_release-4.5-patches.dpatch: Routine update from upstream
    git, to commit 873563ef of 22 April 2011.
  * patches/31_manpages.dpatch: Various minor spelling and header fixes.
  * lintian-overrides.gromacs: Remove checks no longer needed, per #120323.
  * rules: Switch to using dh_lintian.

gromacs (4.5.4-1) unstable; urgency=low

  * New upstream release.
  * Remove gromacs-lam transitional package.
  * man/g_options.1: Create man page for new binary.
  * lintian-overrides.gromacs-data: Override script-not-executable for demo
    scripts not in $PATH.
 -- Fabrice Coutadeur <email address hidden>   Sun,  22 May 2011 15:08:35 +0000

Upload details

Uploaded by:
Fabrice Coutadeur
Uploaded to:
Oneiric
Original maintainer:
Debichem Team
Architectures:
any
Section:
science
Urgency:
Low Urgency

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Series Pocket Published Component Section

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File Size SHA-256 Checksum
gromacs_4.5.4.orig.tar.gz 9.9 MiB 301cc3d790f5036e230e02b1fb03c9b92e0db13df7ac6dbffb2a2fb03d7a1d1c
gromacs_4.5.4-2.diff.gz 259.8 KiB 2e569381908262cc874772faef9f5b1ddf4309a8db42b6402b232708220afedc
gromacs_4.5.4-2.dsc 2.1 KiB 052ae775d682887c0210661d1f7a800fdd69ba26f76f067bc503d86ab96ac9ad

Available diffs

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Binary packages built by this source

gromacs: Molecular dynamics simulator, with building and analysis tools

 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 offers entirely too many features for a brief description to do it
 justice. A more complete listing is available at
 <http://www.gromacs.org/content/view/12/176/>.

gromacs-data: No summary available for gromacs-data in ubuntu oneiric.

No description available for gromacs-data in ubuntu oneiric.

gromacs-dev: GROMACS molecular dynamics sim, development kit

 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.
 .
 This package contains header files and static libraries for development
 purposes, plus sample Makefiles. Development components for MPI-enabled
 builds are contained within the gromacs-mpich and gromacs-lam packages.

gromacs-mpich: Molecular dynamics sim, binaries for MPICH parallelization

 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.
 .
 This package contains only the core simulation engine with parallel
 support using the MPICH (v2) interface. It is suitable for nodes of a
 processing cluster, or for multiprocessor machines.

gromacs-openmpi: Molecular dynamics sim, binaries for OpenMPI parallelization

 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.
 .
 This package contains only the core simulation engine with parallel
 support using the OpenMPI interface. It is suitable for nodes of a
 processing cluster, or for multiprocessor machines.