deb_control_files:
- control
- md5sums
deb_fields:
Architecture: amd64
Breaks: gromacs-mpi (<< 2022~), gromacs-mpich (<< 2021.1-2), gromacs-openmpi (<<
2021.1-2)
Depends: gromacs-data (= 2024.4-1), sse4.2-support, libc6 (>= 2.34), libgcc-s1 (>=
3.0), libgromacs9 (>= 2024.4), libopenmpi3t64 (>= 5.0.5), libstdc++6 (>= 11)
Description: |-
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.
Homepage: https://www.gromacs.org/
Installed-Size: '453'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: gromacs
Priority: optional
Recommends: cpp, mpi-default-bin
Replaces: gromacs-mpi (<< 2022~), gromacs-mpich (<< 2021.1-2), gromacs-openmpi (<<
2021.1-2)
Section: science
Suggests: pymol
Version: 2024.4-1
srcpkg_name: gromacs
srcpkg_version: 2024.4-1