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Difficult to install psiresp in conda

Open lilyminium opened this issue 3 years ago • 1 comments
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Expected behavior

conda install -c conda-forge psiresp lets me run everything as planned.

Actual behavior

It installs qcfractal 0.11, which is incompatible with pydantic 1.9. Not really sure why -- mamba does not have this behaviour. Also, this started about a month ago.

Solutions

I tried releasing new builds with pins to qcfractal version, but these just get ignored in favour of the builds with looser dependencies. Will try submitting a patch to conda-forge.

lilyminium avatar Apr 09 '22 00:04 lilyminium

Hi, There is also issue with mamba installation. Following installation described here you also install qcfractal 0.11 Then importing in in jupyter lab: from qcfractal import FractalSnowflakeHandler You get a following error: ImportError: cannot import name 'Schema' from 'pydantic' I think issues is connected with Windows. From QCFractal conda page: image Any idea how to solve this?

MiloszGrabski avatar Aug 08 '22 15:08 MiloszGrabski