https://github.com/njzjz/lammps-wheel

LAMMPS unofficial Python wheels on PyPi, `pip install lammps`
https://github.com/njzjz/lammps-wheel

cibuildwheel lammps pip pypi python wheel

Last synced: about 1 month ago
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LAMMPS unofficial Python wheels on PyPi, `pip install lammps`

• Host: GitHub
• URL: https://github.com/njzjz/lammps-wheel
• Owner: njzjz
• License: gpl-2.0
• Created: 2022-12-12T05:18:26.000Z (almost 2 years ago)
• Default Branch: master
• Last Pushed: 2024-09-13T20:48:48.000Z (2 months ago)
• Last Synced: 2024-09-14T11:50:06.538Z (2 months ago)
• Topics: cibuildwheel, lammps, pip, pypi, python, wheel
• Language: Python
• Homepage: https://pypi.org/project/lammps-wheel/
• Size: 65.4 KB
• Stars: 2
• Watchers: 3
• Forks: 1
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# LAMMPS unofficial wheels

[![Pypi version](https://img.shields.io/pypi/v/lammps)](https://pypi.org/project/lammps/)

[![Pypi downloads](https://img.shields.io/pypi/dm/lammps)](https://pypi.org/project/lammps/)

[![Pypi downloads](https://img.shields.io/pypi/dw/lammps)](https://pypi.org/project/lammps/)

[![Pypi downloads](https://img.shields.io/pypi/dd/lammps)](https://pypi.org/project/lammps/)

This unofficial repository holds the code to build [LAMMPS](https://www.lammps.org/) platform wheels for Linux, macOS, and Windows. LAMMPS can easily be installed using

```sh

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](https://docs.lammps.org/).

## Available Builds

| 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.

## Usage

### Python

```py

from lammps import PyLammps

```

### Command line

```sh

lmp -h

```

### Plugins

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

```toml

[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](https://docs.lammps.org/plugin.html) for details.

## License

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