3.6.0 release issues overview

[bobleesj]

3.6.0 release timeline

Nov 27, 2024 - Dec 30, 2024

@bobleesj

• remove scattering_object layer #182
• Allow initialization of DO on instantiation #181

@yucongalicechen

• mu T calculator #45
• diffraction object wishlist #46
• diffraction object #49
• diffraction object sampling different api #50
• add tests for diffraction objects #53
• docs for diffraction objects  #69
• fix typo for insert_scattering_quantity in diffraction_objects.py #173
• differaction objects improve functions q_to_tth, tth_to_q #174
• diffraction objects implement d_to_tth, tth_to_d #175
• diffraction objects implement d_to_q, q_to_d #176
• diffraction objects set_all_arrays #177
• docs for diffraction objects setup #183

@alisnwu

• factor out isfloat to a separate file #7
• separate data validation and serialization in serialize.py #27
• New workflow for users to update the global config file #156
• deprecate legacy resampler? #139
• Add an option to automatically interpolate onto the Nyquist grid into wsinterp #145

More new added for 3.6.0

• All other remaining issues

3.5.1 Archive

To be closed for 3.5.1 by @alisnwu
https://github.com/diffpy/diffpy.utils/milestone/2

Overall communication channel for 3.5.1 and we can set priorities here for communicating with all members in the group:

The following are already resolved - but will be closed once pdfmorph confirms it (after 11/3)

• Remove 1 warning - DeprecationWarning: pkg_resources is deprecated as an API  #132
• Python 3.13 bug heads up - loaddata.py  #131

The following are what we need by next week:

• better wording on the capture user names functionality #140
• move resamplers out of parsers? #138
• documentation for importing wsinterp from parsers error #137
• Add instructions/link to fix missing user info issue in get_user_info function in tools.py #129
• Implement automatic spelling check with Codespell in pre-commit (new cookiecutting standard) #144

[bobleesj]

@alisnwu, I saw lots of PRs today—thanks! Just wondering if there are any issues here, besides #138, that you would need further discussions?

[alisnwu]

@bobleesj I think everything is good so far! I made edits to #140 and #129 based on simon's comments and #137 should be done after #138 is decided. I believe #144 is just waiting to be merged

[bobleesj]

Thanks for the update. Just resolved the bottleneck for #138: #138 (comment)

[bobleesj]

@alisnwu Would it be possible to do the 3.5.1 checklist tomorrow? I think #158 needs to be into a new PR as requested. Thanks a lot for your hard work.

[alisnwu]

Yep sounds good, I will make a new PR for that tonight

[bobleesj]

@alisnwu almost there! great progress.

[sbillinge]

@alisnwu I merged the other PR that previously had all the function name changes.

We will need a new PR where we deprecate Diffraction_object in favor of DiffractionObject.

Let's do that one as a practice. We can tackle loadData later if we want to, so for now just leave that as it is. You would normally deprecate something for two mid-level release numbers at least.

[bobleesj]

#165

@alisnwu Just to make sure, the deprecation task is handled in the PR above to to set a standard where we can build upon.

[bobleesj]

@alisnwu Would you make a PR for the one remaining issue above?

[bobleesj]

@alisnwu Alison, I've noticed this PR is created #169 by @Sparks29032

What's going on? Does it close #137 ?

[alisnwu]

@bobleesj Andrew was not experiencing the errors from sphinx that I was on his local, so this would PR should close #137

[bobleesj]

Will you be making the release checklist, @alisnwu? Ideally, we need some buffer time before tomorrow's group meeting to test the package (Please see the checklist). We should probably do it this morning or early afternoon latest to make it realistic, since @sbillinge needs to release packages manually.

[alisnwu]

@bobleesj Yep, already made the checklist. However, still need to check off the new tasks in the 3.5.1 milestone

[bobleesj]

@sbillinge just to make sure - 3.5.1 is now modified to 3.6.0 release?

[sbillinge]

yes, I added scope, some of which is API changing, so I bumped it to 3.6.0 and changed the date to the end of December.

If (as a team) we give this some focus, I think we can do it and have a nice public release. tbh, we need a manuscript that describes the DiffractionObjects....

[bobleesj]

yes, I added scope, some of which is API changing, so I bumped it to 3.6.0 and changed the date to the end of December.

If (as a team) we give this some focus, I think we can do it and have a nice public release. tbh, we need a manuscript that describes the DiffractionObjects....

@yucongalicechen Please keep us posted regarding this!

[yucongalicechen]

yes, I added scope, some of which is API changing, so I bumped it to 3.6.0 and changed the date to the end of December.
If (as a team) we give this some focus, I think we can do it and have a nice public release. tbh, we need a manuscript that describes the DiffractionObjects....

@yucongalicechen Please keep us posted regarding this!

Thanks Bob. @sbillinge not sure I'm the best person for this task, but I can help!

[sbillinge]

@yucongalicechen I think @alisnwu is in charge of diffpy.utils so she would shephard this home, but she is not expected to do everything, but assign tasks around to people. I can help with that if @alisnwu can then keep things on track to ensure the release succeeds.

[bobleesj]

@alisnwu @yucongalicechen Based on Monday's call, I've organized the 3.6.0 release items above.
Could you please confirm whether the issues are assigned as expected?