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Pandas 2 breaks things #506

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mattwthompson opened this issue Apr 4, 2023 · 4 comments · May be fixed by #662
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Pandas 2 breaks things #506

mattwthompson opened this issue Apr 4, 2023 · 4 comments · May be fixed by #662
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dependencies Pull requests that update a dependency file

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@mattwthompson
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@mattwthompson mattwthompson added the dependencies Pull requests that update a dependency file label Apr 4, 2023
@j-wags
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j-wags commented Apr 4, 2023

Good catch!

@j-wags
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j-wags commented Apr 4, 2023

Patching with pins in conda-forge/openff-evaluator-feedstock#31

@mattwthompson
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This is a little embarrassing as I've known about these for a while, and a lot embarrassing as I can't fix them quickly because I'm perpetually behind the curve in keeping up with Pandas.

The breaking change is that numpy.argsort used to return a dataframe when given one, but now returns an array. Something relates to __array_wrap__ being deprecated a while ago and now removed, and also relates to the whole __array_ufunc__ mess that might also be ripped out. (The version of numpy makes no difference because it's a matter of what dunder methods pandas provides.)

I'll look into this more tomorrow.

This was referenced Apr 10, 2023
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@mattwthompson
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This is blocking Python 3.12 support, since they don't seem to have builds for that combination

@mattwthompson mattwthompson mentioned this issue Apr 29, 2025
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@mattwthompson mattwthompson linked a pull request May 22, 2025 that will close this issue
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Update to work with Pandas 2 openforcefield/openff-evaluator
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