---
# System prepended metadata

title: AiiDA Team Meeting 2024-01-25
tags: [team meetings]

---

# AiiDA Team Meeting 2024-01-25

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

[TOC]

### Present

* Xing
* Jason
* Miki
* Marnik
* Giovanni
* Kristjan


### Catch-up round

*Max. 3 minutes each*

Marnik:
 * Next AiiDA-core days: 15-16 Feb. Check if they are on your calendar!
 * New team members incoming! Good time to work on [Team responsabilities](/hYaz4oXyTfWDUWKIKc0HUg)?


Miki:
 * running pytests for aiida-quantumespresso and aiida-pseudo including the new StructureData. (Issue: almost all orm.StructureData initialization use the `append_atom` method, no more accessible in the new StructureData, after the instance creation)
 * writing simple tests in aiida-atomistic (testing behaviors explained [here](https://github.com/aiidateam/aiida-atomistic/blob/develop/properties/docs/source/user_guide/structuredata/structuredata.md))

Kristjan:
 * i have to take off 8-9 feb (coding days)
 * https://github.com/aiidateam/aiida-core/pull/6069
     * exes as argument - remove?
     * ready for testing:
         * try to see the updated docs to
             * make a backup;
             * and restore it.

Xing:
 * Integrate the AiiDA-Shell into the [WorkTree](https://aiida-worktree.readthedocs.io/en/latest/howto/aiida_shell.html) as a `AiiDAShell` node.
```python
wt = WorkTree(name="test_shell_date")
job1 = wt.nodes.new("AiiDAShell", code=prepare_code('date'))
wt.submit(wait=True)

print("\nResult: ", job1.node.outputs.stdout.get_content())
# Result:  Sa 20 Jan 2024 07:56:52 CET
 ```

Jason:
 * GSoC 2024:
     * **NumFOCUS Deadline:** February 5 we provide idea list before the DDL (if we decide to join this year).
     *   [idea list 2024](https://github.com/numfocus/gsoc/blob/master/2024/ideas-list.md) and here is the [idea list 2023](https://github.com/aiidateam/aiida-core/wiki/GSoC-2023-Projects)
     * suggestion for the project:
         * Not too specific about `aiida-core`.
         * web development topic seems quite hot and easy to find candidates from the experience of last year. 
         * 360h in total for the student, so equal work load approximately ~90h for us I would say??
 * Update on aiida-qe [RelaxWorkChain should use restart_mode restart when max_wall](https://github.com/aiidateam/aiida-quantumespresso/issues/968)?
 * PR open:
     * [Doc: quick start for new user](https://github.com/aiidateam/aiida-core/pull/6261) -> Some more fuzzy possible improvement for the DOC.
     * [DOC: More instruction on how to use docker image](https://github.com/aiidateam/aiida-core/pull/6249), test on the context required, helps wanted.
 * [merged #6252](https://github.com/aiidateam/aiida-core/pull/6252) The docker image support customize the profile by passing runtime env variables.
 * Bring [team-compass](https://github.com/aiidateam/team-compass) live again?

Giovanni:
* Question to Materials Cloud email for how to use MC3D AiiDA DB -> convert into blog entry (Kristjan)?
    * What's the status of the blog?
* Jason's PR -> test to run AiiDA with simple backend in a job (maybe within Sarus?)
* Ali and Julian will join Feb 1. Plan is to start with small tasks to get them learn the platform. Starting with simple but very critical things. Examples:
  * Fix the renkulab integration in MC Archive, using recent version of AiiDA and new way of inspecting AiiDA profiles
  * (Possibly the same for AiiDAlab?)
  * Firecrest <- both, probably this is a real requirement from the project
  * PR of Junfeng to easily dump files from a workflow
  * PR of Jason on not using PSQL and RMQ for simple runs
  * ...

### Specific Agenda Items

