---
# System prepended metadata

title: AiiDA Team Meeting 2022-02-10
tags: [team meetings]

---

# AiiDA Team Meeting 2022-02-10

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

[TOC]

### Present

* Giovanni
* Francisco
* Chris
* Sebastiaan
* Simon
* Marnik
* Jason


### Catch-up round

*Max. 3 minutes each*

Chris:

- The big one: ♻️ REFACTOR: Remove Django storage backend ([#5330](https://github.com/aiidateam/aiida-core/pull/5330))
- Demo time!

Sebastiaan:

 * **General**
     * Last meeting I asked everyone to go through their open PRs and check which ones should be closed or what should still be done to get them merged. A good number of them were merged or closed, which is great, thanks a lot. We went from ~45 to ~30. Please have another look to see what else can be resolved. The same goes for issues. Have a look through your old issues and close those that are no longer relevant.
     * First beta version of 2.0 almost ready, just Chris' PR to drop the Django backend. Should be merged today. Francisco sent out Doodle to plan a test day. During this day we should all actively test migrating and then using our production/test databases. If that works well, we can make the beta release.

Simon:
* Primarily focused on [aiidalab-launch](https://github.com/aiidalab/aiidalab-launch).
* Prepared abstract on AiiDAlab for SciPy 2022.
    
Francisco:
* [PR-5331](https://github.com/aiidateam/aiida-core/pull/5331) incorporating the locking mechanism into the maintainance operation (currently blocked).
* Follow up on issue [5323](https://github.com/aiidateam/aiida-core/issues/5323): it seems very specific of setup, will try to continue the inclusion of a mac os github workflow (see [PR-5325](https://github.com/aiidateam/aiida-core/pull/5325)).
* Anybody here with an apple M1? Having problems running the aiida containers, for example, [quantum mobile](https://github.com/marvel-nccr/quantum-mobile/issues/196)


Marnik:
  * **General**
      * Start thinking about AiiDA summer tutorial: where, when, who?
  * **Merged PRs**
      * [✨ NEW: Add verdi group move-nodes command [#4428]](https://github.com/aiidateam/aiida-core/pull/4428)
      * [Dict: implement items() method [#5333]](https://github.com/aiidateam/aiida-core/pull/5333)
      * [✨ NEW: _repr_pretty_ representation for ProcessBuilder [#4970]](https://github.com/aiidateam/aiida-core/pull/4970)

Jason:
  * Nothing about aiida-core to report this week. 
  * Will have another discussion about containerized code implementation and double quote escaping control with Sebastiaan and Giovanni tomorrow at 14h, let me know if you want to join the discussion. 

Giovanni:

- at least agree on a set of weeks for the tutorial?
- discussion with jobflow developers to integrate AiiDA and jobflow (will be the WF engine of Atomate2). Developers are interested in developing high-level workflows only once. Not yet clear technically how to do it. Follow up discussions also with Microsoft's aiida-dynamic-workflows will take place
  - to discuss (Leopold, Jason): use Jason's PR on containerized codes to support running python codes remotely on controlled environments, e.g. to ship off python code (e.g. calcfunctions) remotely, in the spirit of the common workflows
- meeting today with FirecREST (I won't attend). Highlighted the importance for us to use FirecREST + HyperQueue at the same time, as we're using with success HyperQueue
- Ongoing discussion on how to use AiiDA to drive robotic experiments
- BIG-MAP integration of AiiDA as a simulation engine for `finale`, developed by H. Stein in BIG-MAP (mostly Francisco, with discussions with me and Loris)
- AiiDA common workflows going on - mostly scientific stuff, but also thinking to develop a Pydantic+FastAPI simple REST API just for the common workflows, that should be very easy to do and without complex design issues (easier than a REST API for AiiDA in general). Probably not for the first paper but for later. Good also in combination with new (almost) procedural way of declaring "overrides" to code/protocol defaults (see preliminary work on the overrides in this [PR](https://github.com/aiidateam/aiida-common-workflows/pull/261)).
- 

### Specific Agenda Items

 - Feature request: a class to store and handle complex numbers ([5340](https://github.com/aiidateam/aiida-core/issues/5340)).
     - NVM I just added this when it was just a feature request but now there is some details about implementation that we need to define, you can participate there if you want.