gromacs 2019.3-2 source package in Ubuntu
Changelog
gromacs (2019.3-2) unstable; urgency=medium
* debian/patches/arm64-disable-numa-test.patch: On *some* arm64 boards,
hwloc (1.x) reports zero NUMA cache sizes, causing a test failure.
This disables that test on arm64 only.
Upstream: <https://redmine.gromacs.org/issues/2366>
* debian/patches/mpi-tests-localhost.patch: Run MPICH tests on "localhost"
so that they pass in certain network-restricted environments, such as
pbuilder with USENETWORK=NO set. (buildd always worked fine.)
-- Nicholas Breen <email address hidden> Fri, 12 Jul 2019 18:57:43 -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 | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| gromacs_2019.3-2.dsc | 2.5 KiB | f43e9b1a896d24736c67b269ec1ae9f411d85d5bd8e4df706cbe23657da9d77d |
| gromacs_2019.3.orig.tar.gz | 31.9 MiB | 4211a598bf3b7aca2b14ad991448947da9032566f13239b1a05a2d4824357573 |
| gromacs_2019.3-2.debian.tar.xz | 35.2 KiB | 3a7348750864e98ac7b3b582abc2a76adb4591415991f6d64b975c94a56180a7 |
Available diffs
- diff from 2019.3-1 to 2019.3-2 (2.0 KiB)
No changes file available.
Binary packages built by this source
- gromacs: No summary available for gromacs in ubuntu eoan.
No description available for gromacs in ubuntu eoan.
- gromacs-data: No summary available for gromacs-data in ubuntu eoan.
No description available for gromacs-data in ubuntu eoan.
- 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 eoan.
No description available for gromacs-
mpich-dbgsym in ubuntu eoan.
- gromacs-openmpi: No summary available for gromacs-openmpi in ubuntu eoan.
No description available for gromacs-openmpi in ubuntu eoan.
- 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 eoan.
No description available for libgromacs4 in ubuntu eoan.
- libgromacs4-dbgsym: No summary available for libgromacs4-dbgsym in ubuntu eoan.
No description available for libgromacs4-dbgsym in ubuntu eoan.
