Hey Kevin. When I go to install oximachinerunner in a new Conda environment as specified in the instructions, it installs the most recent release of Pymatgen, which causes some issues. After following your install instructions, running pip uninstall pymatgen followed by pip install pymatgen==2021.3.9 resolves the issue. Perhaps it'd be good to add pymatgen<2022.0.0 to requirements.txt. Otherwise, it works like a charm.
Hey Kevin. When I go to install oximachinerunner in a new Conda environment as specified in the instructions, it installs the most recent release of Pymatgen, which causes some issues. After following your install instructions, running
pip uninstall pymatgenfollowed bypip install pymatgen==2021.3.9resolves the issue. Perhaps it'd be good to addpymatgen<2022.0.0torequirements.txt. Otherwise, it works like a charm.