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Update Dockerfile #652

Merged
merged 1 commit into from
Jul 4, 2024
Merged

Update Dockerfile #652

merged 1 commit into from
Jul 4, 2024

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ATM-Jahid
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The failure in the docker build is due to jupyter notebook. I've changed the commands to use jupyter lab.

Building manylinux wheels still needs more work. Please don't merge this PR immediately.

@ATM-Jahid
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@jameskermode I think I have descended into a dependency hell! So, I am going to stop here.

As far as I understand, building py-3.12 wheels needs updated f90wrap. The dependency is somewhat like the following:
quippy -> f90wrap (old version) -> f2py (old version) -> numpy.distutils -> not in py-3.12

Newer versions of numpy (and f2py) should use meson. This will allow py-3.12 wheels to be built. Having an upper bound on the f90wrap version will not help in transitioning to py-3.12.

You can merge the commit here to check if it builds docker properly. If it does, there's one less thing to worry about.

@jameskermode
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Ok, thanks for all the work. I'll try to fix the regressions with later versions of f90wrap.

@jameskermode jameskermode merged commit 7c428af into libAtoms:public Jul 4, 2024
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@ATM-Jahid ATM-Jahid deleted the fix-whl branch July 4, 2024 19:05
@ATM-Jahid ATM-Jahid mentioned this pull request Oct 19, 2024
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2 participants