add sio and single level testing

[loriab]

• add testing for one lane. it's using NWChem, so there's no risk of psi4 interference
• add supersystem_ie_only logic
• hacked a from_qcschema_ben method to my QCNG computer. this sort of sandwiches the main ManyBodyCalculator class in pydantic -- ManyBodyInput/Result
• added the he4_singlelevel testing from the independent pydantic2/psi4/qcengine stack
• set up provenance_stamp

[codecov]

Codecov Report

Merging #5 (5b27939) into main (556e89b) will increase coverage by 6.21%.
Report is 2 commits behind head on main.
The diff coverage is 89.09%.

Additional details and impacted files