2021-02-12
- Version 0.1
- Install to python site-packages folder
pip install git+https://github.com/pyscf/semiempirical
- Install in a custom folder for development
git clone https://github.com/pyscf/semiempirical /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