Feedstock license: BSD-3-Clause
Home: http://lammps.sandia.gov
Package license: GPL-2.0
Summary: LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.
Development: https://github.com/lammps/lammps
Documentation: http://lammps.sandia.gov/doc/Manual.html
LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel computers. It was developed at Sandia National Laboratories, a US Department of Energy facility, with funding from the DOE. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL).
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Installing lammps-library from the deepmodeling channel can be achieved by adding deepmodeling to your channels with:
conda config --add channels deepmodeling
conda config --set channel_priority strict
Once the deepmodeling channel has been enabled, lammps, pylammps can be installed with conda:
conda install lammps pylammps
or with mamba:
mamba install lammps pylammps
It is possible to list all of the versions of lammps available on your platform with conda:
conda search lammps --channel deepmodeling
or with mamba:
mamba search lammps --channel deepmodeling
Alternatively, mamba repoquery may provide more information:
# Search all versions available on your platform:
mamba repoquery search lammps --channel deepmodeling
# List packages depending on `lammps`:
mamba repoquery whoneeds lammps --channel deepmodeling
# List dependencies of `lammps`:
mamba repoquery depends lammps --channel deepmodeling
If you would like to improve the lammps-library recipe or build a new
package version, please fork this repository and submit a PR. Upon submission,
your changes will be run on the appropriate platforms to give the reviewer an
opportunity to confirm that the changes result in a successful build. Once
merged, the recipe will be re-built and uploaded automatically to the
deepmodeling channel, whereupon the built conda packages will be available for
everybody to install and use from the deepmodeling channel.
Note that all branches in the deepmd-kit-recipes/lammps-library-feedstock are
immediately built and any created packages are uploaded, so PRs should be based
on branches in forks and branches in the main repository should only be used to
build distinct package versions.
In order to produce a uniquely identifiable distribution:
- If the version of a package is not being increased, please add or increase
the
build/number. - If the version of a package is being increased, please remember to return
the
build/numberback to 0.