---
# System prepended metadata

title: AiiDA Team Meeting 2024-05-02
tags: [team meetings]

---

# AiiDA Team Meeting 2024-05-02

###### tags: `team meetings`
###### time: 14:00 CET

[TOC]

### Present

* Marnik
* Giovanni
* Edan
* Xing
* Alex
* Miki
* Julian
* Ali
* Kristjan
* Jason


### Catch-up round

*Max. 3 minutes each*

Marnik:
 * Team responsabilities reminder, see the document [here](https://hackmd.io/hYaz4oXyTfWDUWKIKc0HUg?both). Would be good to start identifying the components of AiiDA (core, mostly) and have two people in the team (next to Seb) who are "responsible" for each component. That makes it easier to assign reviewers, and allows us to get familiar with specific parts of the code base.
 * Two upcoming coding events:
    * On-site coding week (topic TBD) (When? June? Kristjan visits 3/4-7 June; ). 17-21 also good.
        * [XW] I have a conference from 17-20 June.
        * [GP and KE cannot on 10-14 June (OPTIMADE)]
    * Coding retreat (I suggest December 2024 -> Leukerbad; maybe something closer to PSI for people that don't live in Valais.)
* MARVEL report discussion was pretty spicy 🌶️. Still want to give [the notes a pass](https://hackmd.io/x4B9-N0ZQc2HuYKJUTdv2A) (what's the deadline?).

Edan:
* Too many other things happening - nothing to report on aiida-core 😮‍💨
    * [GP] Maybe an interesting thread for you https://aiida.discourse.group/t/do-with-ancestors-and-with-descendants-work/374/5 especially to look into the graph explorer (as this might be something to consider for the GUI at some point?)
        * [EB] Will have a look, see in what shape it is and if any approvements can be made

Xing:
 * Great discussion and a lot of [feedback](https://github.com/superstar54/aiida-workgraph/issues) on AiiDA-WorkGraph last Friday. I will work on the issues.
 * PRs
     * [Support using AiiDA component to create node directly](https://github.com/superstar54/aiida-workgraph/pull/50): Now we don't need to build node for AiiDA component (WorkChain, CalcJob ect) manually.
     * [Update node state and position](https://github.com/superstar54/aiida-workgraph/pull/54): update node state by changing the color of the node title
     * [Support data type validation](https://github.com/superstar54/aiida-workgraph/pull/53): If the data identifer is an AiiDA data class, try to build the socket/property on the fly. **Experimental feature**

Julian:
* Not much to report
* Dumping PR ready for dogfooding (yet again; thanks @mbercx for already finding a small bug)
    * [GP] Good to have it in the next release and then wrap up the work on going from the MC Archive to seeing the files (with Xing et al) and eventually prepare a blog page
    * [XW] I created an [issue](https://github.com/superstar54/aiida-archive-inspect/issues/5) to test/add this feature to `aidia-archive-inspect`
* Bring up: Effort for SwissTwins W&C - Static workflow definition via YAML file, parsing to WorkGraph, and running arbitrary executables with `aiida shell` -> Interesting approach I think, happy to discuss this further with anybody who's interested at some point
    * [GP] Check what Louis did here: https://github.com/H2020-OpenModel/ExecFlow

Giovanni:
* Needs to fix meeting with Ali and Julian for MARVEL report, as well as for blog with news in the past releases to make it clear to users
    * E.g. something like the short paragraphs from the Blender "What's new" page: https://www.blender.org/download/releases/4-1/ (of course Blender is a GUI so it's easier to have screenshots - but e.g. having a screenshot of the QueryBuilder before and after can make it easy and visual that the code is now shorter)
* Tutorial? When? After WorkGraphs and new changes are ready to be explained?
    * [MBx] Link on documentation: https://github.com/aiidateam/aiida-core/wiki/Writing-documentation
    * [MBx] We also should move to using MyST Markdown (https://mystmd.org/), made easier by [`rst-to-myst`](https://github.com/executablebooks/rst-to-myst).
    * [MBx] Latest tutorial material: https://aiida-tutorials.readthedocs.io/en/latest/index.html
    * [MBx] [Still open PR](https://github.com/aiidateam/aiida-tutorials/pull/469) from Julian, that I've completely ignored. 😅 

Miki
* Nothing to report; I want to "finalize" the StructureData in the next month (maybe we can do another coding day after)

Kristjan:
* GSoC: I think we got the project approved. Not 100% sure, Jason, can you double-check?

Ali:
* I want to follow up on this PR "Scheduler: Refactor interface to make it more generic" [#6043](https://github.com/aiidateam/aiida-core/pull/6043)


Jason:
 * Resuming using `aiida-submission-controller` and `aiida-hyperqueue`. Give the `aiida-project` a taste. (JG: Won't regret that :3)
 
### Specific Agenda Items