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Use nox instead of tox #41

Merged
merged 5 commits into from
Mar 26, 2024
Merged

Use nox instead of tox #41

merged 5 commits into from
Mar 26, 2024

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Luthaf
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@Luthaf Luthaf commented Mar 25, 2024

This gives us a lot more flexibility in the workflow.

Now, nox -e lode-linear will execute the example and then build the website locally, including only this example; and nox -e docs will build everything.

nox -e lint and nox -e format work the same.

Conda dependencies should now be available inside the virtualenvs, meaning we don't need to install rust or cp2k in CI ourself.


I had to deactivate the cp2k example, since it was not running on my computer. I got some error about pseudopotential files not being found. I think we can merge this once CI is happy and try to fix cp2k tomorrow.

@Luthaf Luthaf requested a review from PicoCentauri March 25, 2024 16:40
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Cool! Once our cp2k mess is working as well this seems like a very useful improvment, which once ensure that this works we should port to other COSMO projects as well.

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Luthaf added 2 commits March 26, 2024 10:59
`nox -e example` will build example and then the website,
`nox -e docs` will build all examples and the website at the end
@Luthaf Luthaf merged commit a23f4e3 into main Mar 26, 2024
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@Luthaf Luthaf deleted the use-nox branch March 26, 2024 10:05
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2 participants