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.
| OS | Arch | Bit | Conditions | MPI |
|---|---|---|---|---|
| Linux | x86_64 | 64 | glibc >= 2.17 | MPICH |
| Linux | aarch64 | 64 | glibc >= 2.17 | MPICH |
| Linux | ppc64le | 64 | glibc >= 2.17 | MPICH |
| macOS | x86_64 | 64 | >= macOS-11 | MPICH |
| macOS | arm64 | 64 | >= macOS-11 | MPICH |
| Windows | amd64 | 64 | Microsoft MPI |
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.
FAQs
unoffical LAMMPS Molecular Dynamics Python package
We found that lammps demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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