---
# System prepended metadata

title: AiiDA Team Meeting 2021-12-01
tags: [team meetings]

---

# AiiDA Team Meeting 2021-12-01

###### tags: `team meetings`
###### time: 10am CET

[TOC]

### Present

* Simon
* Marnik
* Giovanni
* Jusong
* Lorenzo
* Carlo
* Sasha
* Francisco
* Sebastiaan
* Louis
* Chris


### Catch-up round

*Max. 3 minutes each*

Simon:
 * _Was unexpectedly absent for the past week._
 * Support for Python 3.10 almost ready to merge, all tests pass. [[PR#5188](https://github.com/aiidateam/aiida-core/pull/5188)]
     - [ ] Update all version "numbers" to be strings.
     - [ ] Run CI tests against Python 3.7 and 3.10.

Marnik:
 * LUMI hero run complete! 55k+ QE calculations run by AiiDA in <13hours, [check out our tweet](https://twitter.com/aiidateam/status/1463505241098399751).
 * Preparation for coding week: Looking into Task Farming:
     * [Bonan's FireWorks scheduler](https://github.com/zhubonan/aiida-fireworks-scheduler).
     * Solution for CSCS: [GREASY](https://user.cscs.ch/tools/high_throughput/). They use a custom version to support OpenMP+MPI, so might not be useful on other clusters.
     * Suggestion from LUMI team: [HyperQueue](https://it4innovations.github.io/hyperqueue/stable/) - Very lightweight, easy to use, seems interesting.
     * [Flux](https://flux-framework.readthedocs.io/en/latest/index.html): seems powerful, but struggling with Spack install a bit.


Francisco:
 * Progress on the CLI ([PR #4965](https://github.com/aiidateam/aiida-core/pull/4965))
 * Small fix in the docs ([PR #5238](https://github.com/aiidateam/aiida-core/pull/5238))
 * Others: collaboration on the LUMI tests and coding week coordination.

Chris:
 * Merged: ♻️ REFACTOR: New archive format ([#5145](https://github.com/aiidateam/aiida-core/pull/5145))
 * Created <https://github.com/chrisjsewell/sphinx-sqlalchemy> and utilised in <https://aiida.readthedocs.io/projects/aiida-core/en/develop/internals/database.html#table-schema>
 * Presented aiida v2.0 in group meeting, and mentioned coding week topics
     * Nicola mentioned discussing topics (a) "disconnect between simulation capabilities and AiiDA capabilities", (b) "user experience"
 
Jason:
  * Nothing about aiida-core to report, mostly working on aiidalab-sssp and aiidalab-qe.
  * `aiormq.exceptions.ChannelInvalidStateError: writer is None` problem appears again in my running https://github.com/aiidateam/aiida-core/issues/4595

Sebastiaan:
 * Merged PRs:
     * [Add the `EnumData` data plugin to easily store Enum instances](https://github.com/aiidateam/aiida-core/pull/5225): New data plugin that makes it easy to store `Enum` members as nodes. Went through first round of review from GPizzi. Refined the interface and is ready for second round of review.
     * [`Code`: add `validate_remote_exec_path` method to check executable ](https://github.com/aiidateam/aiida-core/pull/5184): This could help prevent typos when setting up a code and subsequently the calculation failing. Went through a lot of back and forth on implementation and is now ready for final review.


### Specific Agenda Items

 - Coding Week Status