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Tip revision: 351b2193bdc2bd05fc295a85971436a8abba2c68 authored by Jakob Kraus on 07 October 2022, 12:12:09 UTC
Tip revision: 351b219
pip3 install virtualenv
virtualenv -p /usr/bin/python3.7 venv
source venv/bin/activate
pip3 install ase==3.17.0
pip3 install h5py==2.10.0
pip3 install numba==0.48.0
pip3 install scipy==1.5.2
pip3 install numpy==1.19.1
pip3 install pyscf==1.7.1
echo 'To deactivate the virtualenv environment, simply type "deactivate" in your command line.'
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