Installation

Stable release

To install analphipy, run this command in your terminal:

pip install analphipy

or

conda install -c conda-forge analphipy

This is the preferred method to install analphipy, as it will always install the most recent stable release.

From sources

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

You can either clone the public repository:

git clone git://github.com/usnistgov/analphipy.git

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

pip install .

To install dependencies with conda/mamba, use:

conda env create [-n {name}] -f environment/base.yaml
conda activate {name}
pip install [-e] --no-deps .

If environment/base.yaml does not exist, it can be generated with:

pip/pipx install pyproject2conda
pyproject2conda yaml -o environment/base.yaml

where options in brackets are options (for environment name, and editable install, repectively).