2021-02-27
- Version 0.1
PySCF NAO is no longer maintained, please use its successor PyNAO instead.
- Install to python site-package folder
pip install https://github.com/pyscf/nao
- Install in a custom folder for development
git clone https://github.com/pyscf/nao /home/abc/local/path
# Set pyscf extended module path
echo 'export PYSCF_EXT_PATH=/home/abc/local/path:$PYSCF_EXT_PATH' >> ~/.bashrc
You can find more details of extended modules in the document extension modules