Ubuntu
gromacs package

gromacs 2019.4-1build1 source package in Ubuntu

Changelog

gromacs (2019.4-1build1) focal; urgency=medium

  * No-change rebuild against libhwloc5.

 -- Rik Mills <email address hidden>  Sun, 29 Dec 2019 08:22:04 +0000

Upload details

Uploaded by:
Rik Mills
Uploaded to:
Focal
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
gromacs_2019.4.orig.tar.gz 31.9 MiB ba4366eedfc8a1dbf6bddcef190be8cd75de53691133f305a7f9c296e5ca1867
gromacs_2019.4-1build1.debian.tar.xz 35.3 KiB 0bac4aca0c15a17e4d58316ed77c62814d58a37b7724b34be48ba174cc892254
gromacs_2019.4-1build1.dsc 2.5 KiB b51ec83fab58c9fe01910062da4c791d94f62a43ec6d00949d8bef35d2ea88bc

View changes file

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.

libgromacs4: No summary available for libgromacs4 in ubuntu focal.

No description available for libgromacs4 in ubuntu focal.

libgromacs4-dbgsym: No summary available for libgromacs4-dbgsym in ubuntu focal.

No description available for libgromacs4-dbgsym in ubuntu focal.