refactor: migrate Boost.Python syntax to nanobind - #89
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chore: updated pre-commit hook dependencies
…nd BondCalculator
…nd libdiffpy_version
…ty and PDFBaseline
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@sbillinge Please see if this is what we want. |
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@SYMSCAE This PR is still failing. I suspect it is because we haven't updated the dependencies for this package ( |
Migration work in those repos is on |
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@SYMSCAE @stevenhua0320 we need to merge this to move the 3D PDF calculator forward. Please can we work on getting the dependency issue resolved so we can move forward? This is a bit urgent. |
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@SYMSCAE Let's first work on |
Hi Steven, I believe we don’t need to touch pyobjcryst. The only change in upstream library is libdiffpy, which is requiring a new conda release. After that we should be good to pass rest of the tests. |
This PR is the initial port that migrates the original Boost.Python bindings to nanobind as mentioned in diffpy/pyobjcryst#88, noticed future improvements will be mentioned in TODOs but will be addressed in future PRs.