gromacs 2022.5-1 source package in Ubuntu
Changelog
gromacs (2022.5-1) unstable; urgency=medium * New upstream release. * Restore muparser patch - otherwise depends on version not yet packaged. * Update Standards-Version to 4.6.2, no changes required. * debian/copyright: Update years. -- Nicholas Breen <email address hidden> Sat, 04 Feb 2023 10:00:05 -0800
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- amd64 arm64 mips64el ppc64el s390x ia64 kfreebsd-amd64 ppc64 riscv64 sparc64 all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
Series | Published | Component | Section |
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Downloads
File | Size | SHA-256 Checksum |
---|---|---|
gromacs_2022.5-1.dsc | 3.4 KiB | d0670b83925042ddc37fcad95f1b524352868de3d87e51ff124bfb185668e94c |
gromacs_2022.5.orig-regressiontests.tar.gz | 46.4 MiB | 65db032e1c91704911bafa5c004864f4cc53dcb1db52933a5fcb0f15670820ce |
gromacs_2022.5.orig.tar.gz | 38.5 MiB | 083cc3c424bb93ffe86c12f952e3e5b4e6c9f6520de5338761f24b75e018c223 |
gromacs_2022.5-1.debian.tar.xz | 35.3 KiB | 1e4cab9e8226067f4cfc1058a6288503c75eebf6c229157dcd5b08f0f7301ee9 |
Available diffs
- diff from 2022.4-2 to 2022.5-1 (66.1 KiB)
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.
.
This package contains variants both for execution on a single machine, and
using the MPI interface across multiple machines.
- 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
- 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.
- libgromacs7: 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.
- libgromacs7-dbgsym: debug symbols for libgromacs7
- libnblib-gmx-dev: GROMACS molecular dynamics sim, NB-LIB 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.
.
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 header files for NB-LIB. For the legacy GROMACS
API, see libgromacs-dev.
- libnblib-gmx0: 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-gmx.
- libnblib-gmx0-dbgsym: debug symbols for libnblib-gmx0