This unofficial repository holds the code to build LAMMPS platform wheels for Linux, macOS, and Windows. LAMMPS can easily be installed using

pip install lammps

The package requires Python 3.7 and above. Most packages are enabled in this distribution. For the usage of LAMMPS, see LAMMPS documentation.

To use MPI, it is required to use the same MPI as what the package was built against.

from lammps import PyLammps

lmp -h

Developers should build plugins with the same MPI, and can register the plugin directory using the entry points:

[project.entry-points.'lammps.plugins']
some_plugin = "some_package:get_plugin_dir"

get_plugin_dir should return a string which contains the plugin directory and can be added into LAMMPS_PLUGIN_PATH. See LAMMPS plugin documentation for details.

This package is distributed under the GNU General Public License, as the same as the original LAMMPS repository.