Rebuild for python311

[regro-cf-autotick-bot]

This PR has been triggered in an effort to update python311.

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_{This PR was created by the regro-cf-autotick-bot. The regro-cf-autotick-bot is a service to automatically track the dependency graph, migrate packages, and propose package version updates for conda-forge. Feel free to drop us a line if there are any issues! This PR was generated by https://github.com/regro/cf-scripts/actions/runs/4885762579, please use this URL for debugging.}

[conda-forge-webservices[bot]]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

[swails]

Issue for pytraj opened in Amber-MD/pytraj#1632, since that's where the build is currently failing.

[mikemhenry]

import: 'parmed'
Traceback (most recent call last):
  File "/Users/runner/miniforge3/conda-bld/ambertools_1683227829751/test_tmp/run_test.py", line 5, in <module>
    import pdb4amber
ModuleNotFoundError: No module named 'pdb4amber'
import: 'pdb4amber'

Looks like that isn't getting built, also looks like there may be an ABI change in in python 3.11

pytraj/trajectory/frame.cpp:45333:1: error: too many initializers for 'PyTypeObject' {aka '_typeobject'}

@dacase Does armbertools support python3.11?

[hainm]

Issue for pytraj opened in Amber-MD/pytraj#1632, since that's where the build is currently failing.

Noted about about the issue.

[mattwthompson]

It doesn't seem to build on 3.11, inside or outside of conda-forge infrastructure

http://archive.ambermd.org/202305/0009.html

[dacase]

I think this needs fixes to AmberTools: according to Hai, we need to re-run cythonize with the latest version of cython, then replace the current .cpp files in pytraj with the new ones. In testing, that allows building with python 3.11.

[hainm]

we need to re-run cythonize with the latest version of cython

and with latest python version (e.g: python 3.11)

[dacase]

I think this is superceded by #118, which looks like it has correctly addressed the python 3.11 issue.

[jaimergp]

Hi @dacase. One note about closing PRs opened by bots. Closing them (either via merge or proper close) signals that the migration operation (in this case updating to py311) has concluded successfully. If it's going to be superseded by 118, that's fine, but we should only close once 118 has been merged. Otherwise the bot will think ambertools is already available for py311 and send PRs to downstream packages depending on it.

[dacase]

Ouch. Thanks for the info. I'll leave closing PR's to those who understand what they are doing.

[mattwthompson]

Since there are now builds online with support for Python 3.11 via #118, my read is that we should indeed close this

[mikemhenry]

There is some demand for ambertools22 builds to support python311, I will give that a try on a different PR, but might not be possible if we run into cython issues or other issues