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adc-connect / adcc

adcc: Seamlessly connect your program to ADC
https://adc-connect.org
GNU General Public License v3.0
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Fix bug with pyscf module import #145

Closed maxscheurer closed 2 years ago

maxscheurer commented 2 years ago

In #132, pyscf backend does not work anymore when cppe is not present because of top-level module import.

This also got past me during code review 😄

maxscheurer commented 2 years ago

Jikes. This is because all of use have CPPE on our computers ;)

Yes. Plus all CI setups have it 😄

maxscheurer commented 2 years ago

Probably best to make a patch release, because 0.15.12 is not really usable then without installing cppe 😦

mfherbst commented 2 years ago

agree.

maxscheurer commented 2 years ago

I'm gonna try this in a cppe-free setup first, to make sure everything is fine again.

lgtm-com[bot] commented 2 years ago

This pull request fixes 1 alert when merging a22ce4f5e4339a1973265154d4078f53bf1b9056 into b3fea7b5a1c1309c76d1b38f4f849cfea88ffd0c - view on LGTM.com

fixed alerts:

maxscheurer commented 2 years ago

Okay it seems there are some problems here to sort out with the way submodule things get imported from pyscf... That's niiiiice 🙈

mfherbst commented 2 years ago

well ... would have been too easy I guess.

maxscheurer commented 2 years ago

Still investigating... I'm at the point where I'm wondering why it was even working at some point...

mfherbst commented 2 years ago

Hmmm. Maybe pyscf has restructured their imports. They did a major version bump, so that might have actually happened.

maxscheurer commented 2 years ago

It's actually also broken with 1.7.6. I think I'll have a solution soon 😄