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Do not call python setup.py
#212
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Codecov Report
Additional details and impacted files |
There's an error bubbling up from QCEngine:
I can't find documentation around any version restrictions around non-ancient versions (surely we're not installing 1.2) and the failure coming from parsing STDOUT implies that it's just not installed correctly. I raised #214 which might help this. |
This normally means psi4 was not installed correctly. The current pins in the env were what I could get to work consistently and were taken from qcengine I am not sure why this would suddenly break though. |
Looks like the installation step went fine and it's working on the tests, which have gone for a half hour now and will probably hang, so I'm cancelling them now. Merging this now as per #218 (comment) |
Description
I'm working on #211
Todos
Notable points that this PR has either accomplished or will accomplish.