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Install some optional dependencies in CI #3786

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DanielYang59
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@DanielYang59 DanielYang59 commented Apr 26, 2024

Summary

  • Install some optional dependencies in CI, to fix [Dev] Multiple dependencies for CI missing #3684.
  • Fix patch for bader_caller (setting PATH to empty is easier than changing the patch location, and serves the same result where bader cannot be found in PATH)

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  • boltztrap2: (partial) installable only on Ubuntu and with pip (uv wouldn't work and suggest no numpy found when there is)

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@janosh
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janosh commented May 7, 2024

do we want to merge this as partially complete and leave some of the todos for later?

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DanielYang59 commented May 7, 2024

Thanks for asking. I was facing some resistance while trying to install them (maybe that's the reason they're not installed in CI). And what make things worse is that I never use any of these.

I'm currently working on the vasp.outputs type PR and haven't really look into this one yet. But I might try to install as much as I can in this PR and I would ping you then.

Also some help would be appreciated:

UPDATE: boltztrap2 installation doesn't look quite reliable for some reason? It used to work just fine, but currently show some installation errors. We would have to drop it if so.

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[Dev] Multiple dependencies for CI missing
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