gromacs 2021.4-2 source package in Ubuntu
Changelog
gromacs (2021.4-2) unstable; urgency=medium
* Cherry-pick upstream merge request 2172, widening tolerance for one
build-time test (GammaDistributionTest.Output) that fails on a few
architectures.
-- Nicholas Breen <email address hidden> Mon, 08 Nov 2021 18:00:11 -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 | Published | Component | Section | |
|---|---|---|---|---|
| Jammy | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| gromacs_2021.4-2.dsc | 2.9 KiB | bf4c133cf568101146756f4c806941eae6a44a83e175c180657b85a43432e647 |
| gromacs_2021.4.orig-regressiontests.tar.gz | 46.3 MiB | 089dbca811bcc36e0af6ab51665300c89e4f1de72402a407d71102375647d0e0 |
| gromacs_2021.4.orig.tar.gz | 36.3 MiB | cb708a3e3e83abef5ba475fdb62ef8d42ce8868d68f52dafdb6702dc9742ba1d |
| gromacs_2021.4-2.debian.tar.xz | 39.9 KiB | 61debdddacb291337eafee26b1ce52b773196bb801591f833b65bf1c5722e422 |
Available diffs
- diff from 2020.6-2 to 2021.4-2 (3.2 MiB)
- diff from 2021.4-1 to 2021.4-2 (920 bytes)
No changes file available.
Binary packages built by this source
- gromacs: No summary available for gromacs in ubuntu kinetic.
No description available for gromacs in ubuntu kinetic.
- 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-mpi: Molecular dynamics sim, binaries for MPI 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 default MPI interface on the chosen architecture. It is
suitable for nodes of a processing cluster, or for multiprocessor machines.
- gromacs-mpi-dbgsym: debug symbols for gromacs-mpi
- libgromacs-dev: No summary available for libgromacs-dev in ubuntu kinetic.
No description available for libgromacs-dev in ubuntu kinetic.
- libgromacs6: 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.
- libgromacs6-dbgsym: debug symbols for libgromacs6
- libnblib-dev: No summary available for libnblib-dev in ubuntu kinetic.
No description available for libnblib-dev in ubuntu kinetic.
- libnblib0: GROMACS molecular dynamics sim, NB-LIB 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.
.
The goal of NB-LIB is to enable researchers to programmatically define
molecular simulations. Traditionally these have been performed using a
collection of executables and a manual workflow followed by a “black-box”
simulation engine. NB-LIB allows users to script a variety of novel
simulation and analysis workflows at a more granular level.
.
This package contains the shared library, libnblib.
- libnblib0-dbgsym: debug symbols for libnblib0
