Irfan Alibay

Add docs? (if needed)

4

Adding this issue here as it might be a feature of the ongoing GSoC. It might be worth consider what, if any, docs should be added / deployed for panedr.

A follow-up from #30 - it might be that type hinting is a good sanity check for @BFedder to make sure that things don't deviate from the intentions of how...

MAINT: Switch from Travis to Github actions as CI provider

1

Follow up from: https://github.com/MDAnalysis/mdanalysis/issues/3036 As our Travis allocation is organisation wide, it might be best to switch over to Github actions where possible.

Parallelism workshop data

2

The tpr/xtc files used for the parallelism part of the workshop are not available in this repo (due to their large size). As a result of this, the workshop materials...

Set up a zenodo?

4

Do we want to create a doi for the materials? I'm not sure how that would impact things like a JOSE or Livecomms submission though?

Similarly to what we do in the core library, finding the right RTD link is hard, so we can add an action to add the right link to the PR...

switch from conda incubator to micromamba action

1

Noticing that the conda builds are taking a long while, switching to micromamba will significantly speed CI up.

RISE is currently the one thing that is hindering being able to upgrade to py3.12 here. It may be worth either a) reviewing if RISE is still adequate, b) if...

nglview failing on CI

1

We're getting CI failures due to this: https://github.com/nglviewer/nglview/issues/1032 I think a fix is in the works? For now we can probably pin ipywidgets temporarily? I'd prefer wait if we don't...