Installation

The easiest approach to install the latest release is to use pip:

# pip
pip install psiresp

If you need the latest development environment, build from source:

git clone https://github.com/lilyminium/psiresp
cd psiresp
# create new environment with dependencies
conda env create -f devtools/conda-envs/environment.yaml
conda activate psiresp
# build the package
python setup.py install

To run tests:

cd psiresp/tests/
pytest . --disable-pytest-warnings