For most users we recommend a conda installation:
conda install -c conda-forge -c omnia foyer
If you wish to install from source, you can use the following commands:
git clone https://github.com/mosdef-hub/foyer.git cd foyer conda env create -f environment.yml conda activate foyer pip install .
If you are using windows, you should use
environment-win.yml rather than
If you plan on contributing to the development of foyer, we recommend you create an editable installation with all the required dependencies:
git clone https://github.com/mosdef-hub/foyer.git cd foyer conda env create -f environment-dev.yml conda activate foyer-dev pip install -e .
We use [pre-commit](https://pre-commit.com/) to automatically handle our code formatting and this package is included in the dev environment.
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
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
$ conda env create -f docs-env.yml $ conda activate foyer-docs $ make html