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New guesser interface broke behaviour downstream

Open IAlibay opened this issue 1 year ago • 7 comments

Several mdakits' CI broke overnight with the following error: ValueError: there is no reference attributes in this universeto guess types froma

This means that the new guessers interface did a breaking change that we aren't aware of.

This will need to be fixed before the 2.8 release.

IAlibay avatar Oct 20 '24 07:10 IAlibay

I'm just out but can look at this in an hour or so!

lilyminium avatar Oct 20 '24 08:10 lilyminium

Prolif also fails because we removed the guessers interface: ModuleNotFoundError: No module named 'MDAnalysis.topology.guessers'

IAlibay avatar Oct 20 '24 08:10 IAlibay

Similarly pytim fails because it attempts to call guess_types but it no longer exists: https://github.com/MDAnalysis/MDAKits/actions/runs/11422930196/job/31781508635#step:10:33

IAlibay avatar Oct 20 '24 08:10 IAlibay

cc @Marcello-Sega - this is where we're tracking the breaking changes from the guessers update: https://github.com/MDAnalysis/MDAKits/issues/217

IAlibay avatar Oct 20 '24 08:10 IAlibay

I have raised #4749, #4750, and #4751 as issues that need fixing before the release.

IAlibay avatar Oct 20 '24 09:10 IAlibay

@lilyminium and @IAlibay I put both your names on this omnibus issue as the two people with best insight into what needs to be done.

You also already created PRs addressing all the sub-issues (thank you!) so I assigned the issues to the PR authors so that it's clear that we are actively working on the problems.

Please ask for help where needed.

orbeckst avatar Oct 21 '24 19:10 orbeckst

I created the post https://github.com/MDAnalysis/mdanalysis/discussions/4758 as an official note.

orbeckst avatar Oct 22 '24 22:10 orbeckst

This is now done as far as I know.

IAlibay avatar Nov 22 '24 17:11 IAlibay