follow up on incorporating pyGSM into workflow

[joshkamm]

Follow up things that didn't get addressed in #45 and #54:

• See if github actions has a UGE setup action to test with UGE job queue
• Clean up tests/test_gsm.py which is serving basically the same purpose as examples/suzuki.py. Actually I might end up using test_conf_gsm.py as the basis for suzuki.py in which case this will change.
• Conformer generation / ensemble optimizer test (try setting environment variables which are accessed at import time pytest-dev/pytest#10027 (comment))
• Deal with "HARDCODED TO SPECIFIC TEST MOLECULE" in gsm.py
• Deal with "I think this should check if any of the conformers have DFT energies but this is only checking the last one" in main.py
• Combine single and double ended methods in gsm.py
• Merge tests / CI branch into pyGSM
• pyGSM issue for the write_std_multixyz seemingly using an incorrect unit conversion assuming starting from kJ/mol when it's actually kcal/mol. It would seem to make more sense for a write function to use whatever units it is given
• Improve the pyGSM error message when the fragments aren't contiguous
• Streamline pyGSM installation including fixing why I have to append the pygsm folder to the python sys.path
• Can you edit issues with gh desktop?
• Clean up scratch files from pyGSM in personal directory
• Update documentation
• Update tests
• Look through pull request changes
• Clean up code and retest
• Increment version number