Install from conda:

conda install -c conda-forge -c omnia -c mosdef foyer

Install from pip:

pip install foyer

Install an editable version from source:

git clone
cd foyer
pip install -e .

Install pre-commit

We use [pre-commit]( to automatically handle our code formatting and this package is included in the dev environment. With the foyer-dev conda environment active, pre-commit can be installed locally as a git hook by running:

$ pre-commit install

And (optional) all files can be checked by running:

$ pre-commit run --all-files

Supported Python Versions

Python 3.6 and 3.7 are officially supported, including testing during development and packaging. Other Python versions, such as 3.8 and 3.5 and older, may successfully build and function but no guarantee is made.

Testing your installation

foyer uses py.test for unit testing. To run them simply type run the following while in the base directory:

$ conda install pytest
$ py.test -v

Building the documentation

foyer uses sphinx to build its documentation. To build the docs locally, run the following while in the docs directory:

$ conda env create -f docs-env.yml
$ conda activate foyer-docs
$ make html