Closed loriab closed 1 year ago
Yes, if there was any good reason behind that env reset, I haven't been able to reconstruct it. It'll be nice to get good traceback back, rather than remembering that IndexError in psi4 found() means the version/tag is broken.
Description
The existing psi4 detection has worked great when psi4 is in order and conda environments prevail, but #389 and #292 show that if something is set up a little wrong with psi4, then everything devolves into an IndexError with the existing psi4 detection.
This PR improves matters by
env
passing. As @Flamefire pointed out, the psi4 module is already in sys.path or which_import wouldn't have worked. unlike #389, code is now passing no env so current env is used (and can provide numpy, etc.). I've tested that there's no need to provide env=os.environ to get current env.Hopefully this will be more robust. closes #389 closes #391 closes #292
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