# AiiDA Team Meeting 2024-07-11

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

[TOC]

### Present

* Marnik
* Miki
* Xing
* Sebastiaan
* Miki
* Edan
* Kristjan

### Catch-up round

*Max. 3 minutes each*

Sebastiaan:
* `aiida-core` v2.6 has been released
* **Merged PRs**
* [Dependencies: Update requirements for `kiwipy` and `plumpy`](https://github.com/aiidateam/aiida-core/pull/5732): This updates dependencies. Make sure to reinstall when checking out `main` or you will get exceptions
* [`SqliteDosStorage`: Make the migrator compatible with SQLite](https://github.com/aiidateam/aiida-core/pull/6429)
* [Engine: Fix bug in upload calculation for `PortableCode` with SSH](https://github.com/aiidateam/aiida-core/pull/6519)
* **Open PRs**
* [Dependencies: Update requirement to `psycopg~=3.0`](https://github.com/aiidateam/aiida-core/pull/6362)
* [Scheduler: Refactor interface to make it more generic](https://github.com/aiidateam/aiida-core/pull/6043)
* [ORM: Use pydantic to specify a schema for each ORM entity](https://github.com/aiidateam/aiida-core/pull/6255)

Marnik:

* Not much to report on the `aiida-core` front
* We did do a quite large scale run on the new Alps machine this morning, and the AiiDA engine was purring nicely maintaining over 1500 workflows on all the 1250 available nodes.

Xing:
* WorkGraph
* [Add a basic error handler to WorkGraph for restart](https://aiida-workgraph.readthedocs.io/en/latest/howto/error_resistant.html): User can specify the tasks and their exit codes that should trigger the error handler, as well as the maximum number of retries for a task. One can also pass custom parameters to the error handler.
* [**PythonJob**: support namespace output](https://aiida-workgraph.readthedocs.io/en/latest/built-in/pythonjob.html#Namespace-Output): one can declare a dynamic output by setting the identifier to `Namespace` in the outputs parameter.
* [**PythonJob**: check duplicate entry points for data serializer](https://aiida-workgraph.readthedocs.io/en/latest/built-in/pythonjob.html#Define-your-data-serializer): If you have multiple plugins that register the same data serializer, the workgraph will raise an error. You can avoid this by selecting the plugin that you want to use in the configuration file.
* [**Web GUI**](https://github.com/superstar54/aiida-workgraph/pull/144): speed up loading workgraph in web app.

Miki
* not much to report, just helped Ali in testing `aiida-firecrest`
* tested `orm.ContainerizedCode` for `phonopy` on Merlin cluster (PSI) and added the corresponding entry in `aiida-resource-registry` (merged [PR](https://github.com/aiidateam/aiida-resource-registry/pull/24))

Kristjan:
* Monday 13:00 CET - [aiida-explorer](https://github.com/aiidateam/aiida-explorer) demo & discussion
* Who is interested, does the time work?

Edan:
* New AiiDA website proposal

### Specific Agenda Items

#### AiiDA coding week

Notes: https://hackmd.io/jBiLt7V6Sn6_tTg9Gr1LqA

Main point is - as communicated via Slack and Discourse - we'll hold off on the transition to MyST Markdown until we have reviewed all options. Instead we'll be focussing on the `WorkGraph`, new `StructureData`, dogfooding `aiida-shell` and taking care of some loose ends.