Python Binding Packages #2
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- NWX_MODULE_DIRECTORY is set correctly for all NWChemExBasePybindings-based packages - ParallelZone and PluginPlay bindings appear to be working - TensorWrapper and above are in-progress - The value of NWX_MODULE_DIRECTORY needs to be generalized to any Python version. It currently only works for Python 3.13.
jwaldrop107
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Oct 8, 2025
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@jwaldrop107 I think this is ready for another review. I need to check if I can build the whole thing, which will take time, but it all looks right from an surface-level check on my end. Questions/points of interest for this review:
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jwaldrop107
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Jan 27, 2026
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jwaldrop107
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@zachcran In general, LGTM. The actions should be sufficient for the time being. I would say go ahead and remove the two _package.py files.
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Description
Python bindings are not currently working properly with Spack packaging. This PR works on solving that issue.
TODOs
+pythonflag correctly down the stack, sincenwchemex-tensorwrapper+pythonwas depending onnwchemex-parallelzone~pythonfor some reason.depends_on("nwchemex-parallelzone+python", when="+python").