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Difficult to install psiresp in conda #93

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lilyminium opened this issue Apr 9, 2022 · 1 comment
Open

Difficult to install psiresp in conda #93

lilyminium opened this issue Apr 9, 2022 · 1 comment

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@lilyminium
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lilyminium commented Apr 9, 2022

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.

@MiloszGrabski
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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?

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