Ubuntu
gromacs package

gromacs 2018.1-1 source package in Ubuntu

Changelog

gromacs (2018.1-1) unstable; urgency=medium

  * New upstream release.
  * Remove gtest-death-test.patch, incorporated upstream.
  * Moved VCS from alioth to salsa (thanks to Andreas Tille).

 -- Nicholas Breen <email address hidden>  Sat, 31 Mar 2018 10:12:46 -0700

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
Bionic release universe science

Downloads

File Size SHA-256 Checksum
gromacs_2018.1-1.dsc 2.5 KiB ae7e55f4270421c904395c4cd3edbfb22698b81f4f34aa65c62ec38907ca659b
gromacs_2018.1.orig.tar.gz 28.5 MiB 4d3533340499323fece83b4a2d4251fa856376f2426c541e00b8e6b4c0d705cd
gromacs_2018.1-1.debian.tar.xz 33.6 KiB 77c1d82cafffaeb9ecd3984d3adf18d2f00234e295bd794ea3e500da96a6d315

Available diffs

No changes file available.

Binary packages built by this source

gromacs: No summary available for gromacs in ubuntu cosmic.

No description available for gromacs in ubuntu cosmic.

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: No summary available for gromacs-mpich-dbgsym in ubuntu cosmic.

No description available for gromacs-mpich-dbgsym in ubuntu cosmic.

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.

libgromacs3: No summary available for libgromacs3 in ubuntu cosmic.

No description available for libgromacs3 in ubuntu cosmic.

libgromacs3-dbgsym: debug symbols for libgromacs3