---
# System prepended metadata

title: AiiDA Team Meeting 2022-08-10
tags: [team meetings]

---

# AiiDA Team Meeting 2022-08-10

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

[TOC]

### Present

* Sebastiaan
* Marnik
* Francisco
* Chris
* Jason


### Catch-up round

*Max. 3 minutes each*

Sebastiaan:
 * **Merged PRs**:
     * Dependencies: set upper limit `werkzeug<2.2` [[#5606]](https://github.com/aiidateam/aiida-core/pull/5606): This caused the REST API tests to fail. Basically in `werkzeug<2.2` trailing slashes in a URL were accepted if the route uniquely corresponded to a leaf route. In `werkzeug>=2.2` such trailing slashes are no longer silenty accepted and will now raise a 404. Not clear yet if this will be fixed or we have to correct the behavior/tests on our side. [This unreleased PR](https://github.com/pallets/werkzeug/pull/2487) may provide a solution, but since it concerns a new featured, it would require us to put a lower limit on `werkzeug` so that is still not ideal. 
 * **Releases**
     * See the [make a release wiki](https://github.com/aiidateam/aiida-core/wiki/How-to-make-a-new-release) for a revised and cleaned up approach based on the new branching strategy.
     * [`aiida-core==2.0.3`](https://github.com/aiidateam/aiida-core/releases/tag/v2.0.3): Docker image bump. 
     * [`kiwipy==0.7.6`](https://github.com/aiidateam/kiwipy/releases/tag/v0.7.6): just dependency fixes
 * **Issues**
     * Listing pseudopotential familes prints an entry for every pseudo in the family. [[#5535]](https://github.com/aiidateam/aiida-core/pull/5535): Tracked this down to an important bug in the `QueryBuilder` when appending a `Node` followed by a `Group`. This broke in v2.0 and should be fixed a.s.a.p. I suspect this might also be the root cause of the pseudo CLI of `aiida-vasp` breaking. Created [a PR](https://github.com/aiidateam/aiida-core/pull/5554) with a test demonstrating the problem. Not sure how to fix it yet.
 * **Miscellaneous**
     * First review of [Jason's caching AEP](https://github.com/aiidateam/AEP/pull/35#pullrequestreview-1067833836)
     * Any interest in demo'ing/using `aiida-shell` in tutorial?
    
Jason:

 * `kiwipy` [PR#113](https://github.com/aiidateam/kiwipy/pull/113): Bump `aio-pika` from version `6.8.1` to `8.1.1` which should fix the `Writer is None` [issue](https://github.com/aiidateam/aiida-core/issues/4595) of aiida-core. Ready to review but make a change that may change the kiwipy API (TBD).
 * Where to find the tutorial for writing a WorkChain from scratch?


Marnik:
 * Based on the doodle, the best day for the AiiDA tutorial day is **29 August 2022**. Added to the AiiDA calendar, instructions will follow!
 * Nicola suggested to include a shorter "demo session" to the tutorial, so participants can either sign up for only this demo or the full 4-day tutorial. We'd set this as the first session, where also 4-day participants can get a taste of what AiiDA can do.
 * Just noticed that the certificate for aiida.net seems to be no longer valid?

Francisco:
 * Mostly working in scientific topics for the Psi-K.
 * From the AURORA project (aiida control of workflows involving steps with experimental robotic devices):
     * Loris has been working on a transport that communicates with windows (clusters) running powershell, we might incorporate that soon into core.
     * Is there any way to load configurable environment setups for the scheduler? Case in point: we need to load a python virtualenv to run the commands to interact with the scheduler.

Chris:
* still on holiday, just listening in :wink: 

### Specific Agenda Items