Stable release 2.3.0: what is missing?

[yakutovicha]

I guess we have accumulated quite several things for the 2.3.0. To me, it is time to release it.

Are there things that we still want to merge in and need some work?

[danielhollas]

There's a 2.3.0 milestone that I created https://github.com/aiidalab/aiidalab-widgets-base/milestone/6.

I think at minimum we need to relax ASE constraint that was added due to a failing test, see #612. If you could take care of that that would be great.

My ambition was also to get rid of some heavy dependencies, in particular pandas, per #591, since I wanted to try and use the 2.3.0 for an integration into the base AiiDAlab image (see exploratory PR in aiidalab/aiidalab-docker-stack#483). I can try find time this week to see how much work in would be (it shouldn't be much).

Otherwise I agree that it would be good to release soon.

[danielhollas]

I've moved the remaining items to the 2.4 milestone.

I think we can go ahead with the release, but I think it needs testing in QeApp, especially features related to ASE (since we unpinned its version) and povray rendering in the StructureViewer widget.

cc @edan-bainglass @superstar54

(note: when testing make sure you re-install ASE to the latest version)
I'll test my app as well, most likely first thing tomorrow.

[danielhollas]

I'll test my app as well, most likely first thing tomorrow.

Did a quick testing in my app. Structures rendering works as expected.
I noticed some weird behaviour of the Structure Upload widget, but I suspect that was a pre-existing bug (maybe related to #549). Will file a separate issue.

[edan-bainglass]

All seems good on my end. Ran full relaxation + bands + pdos on Diamond. Seems good. Structures (crystal and electronic) all look good!

[yakutovicha]

Shall we?

If that's ok, I would like to try the full workflow, as I've never done it.

[danielhollas]

Go ahead!