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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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Try psi4 on Conda CI #166

Closed maxscheurer closed 1 year ago

maxscheurer commented 1 year ago

New version of #137.

maxscheurer commented 1 year ago

Ready to go. Note that this pulls in a release version of psi4, so if we want to test the features #160 will bring, we'll need to pull in some preliminary dev build (not clear where those will reside, since psi just made the switch to c-f) or disable ddx like PCM for now.

mfherbst commented 1 year ago

I think pulling in a dev build could get pretty brittle. Probably better to just do local testing and extend later, once a newer version is out.

maxscheurer commented 1 year ago

I think pulling in a dev build could get pretty brittle.

I agree ðŸ«