Ubuntu
gromacs package

gromacs 2020-2 source package in Ubuntu

Changelog

gromacs (2020-2) unstable; urgency=medium

  * Upload to unstable.
  * debian/man/mdrun_mpi.*.1: Update from gmx-mdrun(1).
  * Install legacy API (GMX_INSTALL_LEGACY_API) from non-MPI builds, for
    compatibility with votca-csg requiring gromacs/version.h.
  * Bump Standards-Version to 4.5.0, no changes required.

 -- Nicholas Breen <email address hidden>  Mon, 20 Jan 2020 18:44:53 -0800

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

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File Size SHA-256 Checksum
gromacs_2020-2.dsc 2.5 KiB 42b421b96d7c440cfa31e89e72621c87e4ad18d054e56808b5346032733bbff0
gromacs_2020.orig.tar.gz 27.6 MiB 477e56142b3dcd9cb61b8f67b24a55760b04d1655e8684f979a75a5eec40ba01
gromacs_2020-2.debian.tar.xz 36.5 KiB ba8110f5348426f404db1f43cbf8bf8f0f66f813cc358c53c416c794e9ef63ca

No changes file available.

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-data: GROMACS molecular dynamics sim, data and documentation

 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 architecture-independent topology and force field
 data, documentation, man pages, and example files.

gromacs-dbgsym: debug symbols for gromacs
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 (v3) interface. It is suitable for nodes of a
 processing cluster, or for multiprocessor machines.

gromacs-mpich-dbgsym: debug symbols for gromacs-mpich
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.

gromacs-openmpi-dbgsym: debug symbols for gromacs-openmpi
libgromacs-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
 GROMACS builds also require their respective packages.

libgromacs5: GROMACS molecular dynamics sim, shared libraries

 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 the shared library, libgromacs.

libgromacs5-dbgsym: debug symbols for libgromacs5