fixing ci pipeline for python3.9 and python3.13 #435
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Hey @JarrettSJohnson ! |
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Looks good overall. Thanks for the major effort here; I've never been a fan of trying to wrangle conda with CI.
The only major feedback I have for this is the mixing of conda-forge and PyPI packages--which I remember is generally not recommended. However, if it's for CI purposes, I don't really care too much, but I don't feel comfortable suggesting that to our users. Ideally I would like conda-forge to recognize pyproject.toml files: https://github.com/conda/conda/issues/12462 . This seems possible with pixi, and I've been thinking about making a switch to it.
| run: | | ||
| conda deactivate |
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Do you need this deactivate if you're just activating another environment the next line?
| @@ -14,21 +14,26 @@ authors = [ | |||
| {name = "Schrodinger", email = "[email protected]"}, | |||
| ] | |||
| dependencies = [ | |||
| "biopython>=1.80", | |||
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Any reason why this is added here? Biopython was added to CI for testing purposes (for optional features), but is not a requirement for PyMOL.
| "numpy>=2.0", | ||
| ] | ||
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| [build-system] | ||
| build-backend = "backend" | ||
| backend-path = ["_custom_build"] | ||
| requires = [ | ||
| "cmake>=3.30.5", |
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I think cmake>=3.13 is sufficient since that is what's required in the CMakeLists.txt
| libpng ` | ||
| libxml2 ` | ||
| libnetcdf ` | ||
| libffi |
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Although you linked the error and solution in the description. I'm still a bit unsure where this is coming from. I'm fairly confident this spawned from now not using conda-forge's Python
| python=${{ matrix.python-version }} ` | ||
| pip ` | ||
| catch2=2.13.3 ` | ||
| cxx-compiler ` |
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Probably correct, but what caused this to be needed now?
For more information on the solution, check this link.
This module is quite old, and I have not had to work with it before. I would appreciate any assistance with testing it.
Additionally, the use of cgi can still be found in examples