Installation

Stable release

To install the SEAMM Forcefield Utilities, run this command in your terminal:

$ pip install seamm-ff-util

This installs every dependency, including the compiled ones (RDKit and Open Babel, via molsystem), from their PyPI wheels. Use pip or uv; a conda-forge package also exists but lags the PyPI release, and the two should not be mixed in one environment.

From sources

The sources for the seamm_ff_util can be downloaded from the Github repo.

You can either clone the public repository:

$ git clone git://github.com/molssi-seamm/seamm_ff_util

Or download the tarball:

$ curl  -OL https://github.com/molssi-seamm/seamm_ff_util/tarball/master

Once you have a copy of the source, you can install it with:

$ python setup.py install