Started the MOLSSI Quantum Chemistry class. I’ve heard Psi4 in passing but I’ve not used it yet.
Chose to install it with conda - avoiding any dependency issues. Tried others on the psicode manual, which I had to eventually unistall and restart with the following:
conda create -n psi4env -c conda-forge python=3.8 psi4
conda activate psi4env
this passed or skipped all of psi4 --test , but only after conda install pytest.
PS: I am on a 2020 Mac-M1.