Release 2.9.0

[IAlibay]

We want to aim for a new release, so I'm going to try to post a few things that need completing / fixing before we can.

For now I have:

• Making a 2.8.0 release of the userguide: Make a v2.8.0 release of the UserGuide UserGuide#397 (cc @RMeli and @lilyminium )
• Fixing the artifact upload behaviour: [2.8.0 deployment] Artifact upload failure #4783
• Make all MDAKits optional dependencies: Make all mdakits imported & used in the core library optional and don't ship them on the conda-forge recipe with v2.9 #4899 (I'll take this one)
• Gromacs TPR 2025 support (is this done @tylerjereddy ?) : ENH: tpx 137 (GROMACS 2025.0) support #4919

Please add to this list if you think there's anything missing.

[tylerjereddy]

Gromacs TPR 2025 support

I'd feel a bit more confident if the GMX developer we pinged provided us with a sample .tpr file with all the new "bells and whistles" turned on. That said, we haven't been that thorough in the recent TPR bumps either (i.e., we just assume that if we convert an old .tpr to the new format and it passes our current tests then we are good). Probably a step in the right direction regardless, but it wouldn't surprise me if we eventually have a user with a TPR we need to study/adjust for.

[orbeckst]

@IAlibay @p-j-smith do we have a 2.9.0 milestone and do we know which issues/PRs need to be resolved for a 2.9.0 to happen?

EDIT: I saw the issues listed explicitly above.

[IAlibay]

All the above is what needs dealing with @orbeckst - we can create a milestone for it if you want.

[orbeckst]

Might be useful, just so that one sees it in the issues list and not only here.

…

On Mar 7, 2025, at 10:16, Irfan Alibay ***@***.***> wrote: IAlibay left a comment (MDAnalysis/mdanalysis#4939) All the above is what needs dealing with @orbeckst - we can create a milestone for it if you want. — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you were mentioned. <https://github.com/orbeckst> <#4939 (comment)> <https://github.com/notifications/unsubscribe-auth/AAB2DHGZ3WULTEX2ZI47ABT2THH53AVCNFSM6AAAAABYEBMPA6VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDOMBWHE4TAMJUGY> IAlibay left a comment (MDAnalysis/mdanalysis#4939) <#4939 (comment)> All the above is what needs dealing with @orbeckst <https://github.com/orbeckst> - we can create a milestone for it if you want. — Reply to this email directly, view it on GitHub <#4939 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AAB2DHGZ3WULTEX2ZI47ABT2THH53AVCNFSM6AAAAABYEBMPA6VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDOMBWHE4TAMJUGY>. You are receiving this because you were mentioned.

[tylerjereddy]

fyi, I did see that the GMX developer created a test file so it is on my radar to try to deal with that

[IAlibay]

@tylerjereddy I would like to try to go for a release early this week (I'm mostly OOO starting Friday for a long while, so I don't want to start a release too late). Do you get a sense that it might be possible to merge that PR within that timeframe?

[orbeckst]

@IAlibay will 2.9.0 be completely under LGPLv2.1+ (i.e. code and package)?

(Sorry for asking, I haven't looked at licensing in a while.)

[IAlibay]

@IAlibay will 2.9.0 be completely under LGPLv2.1+ (i.e. code and package)?

(Sorry for asking, I haven't looked at licensing in a while.)

No, we haven't dropped MMTF yet since that's slated for v3.0. I'd be happy to drop it earlier though (since it's functionally useless now).

[orbeckst]

I'd be ready to drop MMTF #4796 but I also don't want to pile on things that can wait.

I could do a quick PR for #4796 if you want to see what it would look like. But if this is too much work to review and keep track of, I am fine with leaving it in. Your choice.

[IAlibay]

Let's call it, next release @orbeckst . We should keep to our own rules for code freezes.