---
# System prepended metadata

title: AiiDA Team Meeting 2022-09-07
tags: [team meetings]

---

# AiiDA Team Meeting 2022-09-07

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

[TOC]

### Present

* Jason
* Sebastiaan
* Marnik
* Giovanni
* Simon
* Kristjan
* Chris


### Catch-up round

*Max. 3 minutes each*

Jason:
 * aiida-tutorial-doc [plugin section](https://github.com/aiidateam/aiida-tutorials/pull/425) fixes, and  aiida-core [doc plugin sections](https://github.com/aiidateam/aiida-core/pull/5626) fixes (deprecate examples for entry points setting by `setup.py`).
 * Add support to run executable from conda as containerized code https://github.com/aiidateam/aiida-core/pull/5507. Let's set a meeting to discuss what is still missing and how to finalize this PR. Create an github organization for HPC containerized images, [containers4hpc](https://github.com/containers4hpc), and the dockerhub repo https://hub.docker.com/u/containers4hpc
 * Renew the [AEP for caching](https://github.com/aiidateam/AEP/pull/35) with `RemoteData`.
 * Working on migrate [QeApp](https://github.com/aiidalab/aiidalab-qe/pull/271) and [aiidalab-widgets-base to compatible with AiiDA 2.x](https://github.com/aiidalab/aiidalab-widgets-base/pull/344) 

Sebastiaan:
* **Merged PRs**
    * API: Add method to start the daemon to `DaemonClient` [[#5625]](https://github.com/aiidateam/aiida-core/pull/5625): Can now run `DaemonClient.start_daemon` to start the daemon easily from a shell or notebook
* **Open PRs**
    * API: Add the aiida.engine.processes.control module [[#5630]](https://github.com/aiidateam/aiida-core/pull/5630): Would allow running things like `pause_processes([node_one, node_two])` to pause, play and kill processes in a shell/notebook.
    * Fix the `with_daemon` test fixture and suppress unclosed zmq socket warnings [[#5631]](https://github.com/aiidateam/aiida-core/pull/5631): Add the `started_daemon_client` and `stopped_daemon_client` fixture to have an easy way to guarantee a running or stopped daemon in a unit test. Daemon will automatically be stopped at the end of the session. Works with existing test profiles as well as those created temporarily from scratch. Also fixes the many warnings of unclosed zmq sockets due to calls to the `circus` client.
* **Issues**
    * `QueryBuilder` is broken in v2.0 when joining `Group` onto `Node` [[#5535]](https://github.com/aiidateam/aiida-core/issues/5535): any progress here?

Simon:
* Developing the revised AiiDAlab Docker Stack
* Preparing deployment of AiiDAlab environment for the AiiDA tutorial
* There are some issues regarding installing AiiDA 2.x with conda(/mamba) on different architectures; identified during preparation of the Docker stack; will try to isolate the problem and report.
* Attended the EuroSciPy 2022 conference in Basel

Marnik:
* Attended the CSCS User day in Bern. Had a discussion with the CSCS staff about when 2FA would start to be enforced, seems we have to make sure we're ready by start of next year.
* Talked with Oto Kohulak, an avid AiiDA user, at Psi-k, he has been working on a plugin to execute Python code in a different interpreter as a calcjob, see [this discussion](https://github.com/aiidateam/aiida-core/discussions/5586). He has been working on it some more since, and now has a plugin he would like to present/discuss at an AiiDA team meeting.
* Tutorial: Record new versions of the presentations participants have to watch before each day, see [#421](https://github.com/aiidateam/aiida-tutorials/issues/421).
* Will contact external talk contributors today to ask if they want to update their presentations. Also want to reach out to new contributors, suggestions most welcome!

Kristjan:
* updated the managing data tutorial: https://github.com/aiidateam/aiida-tutorials/pull/424
* stopped using full_types_count REST endpoint (e.g. https://aiida.materialscloud.org/curated-cofs/api/v4/nodes/full_types_count) for MC statistics (https://github.com/materialscloud-org/common-data/pull/1)

Giovanni:
* Discussion tomorrow with Marnik and Chris for status of tutorial
* Meeting in person at CSCS with Firecrest people and auth people
* Quantum Mobile: have a timeline/roadmap (also include Apple M1 chips?)

Chris:
* Doodle out for AiiDA tutorial participation
* Working on tutorial intial demonstration (as notebook)
* Working on finalising new Quantum Mobile
* New aiida website is basically ready to deploy (https://aiida-website.readthedocs.io/en/latest/)
    * Just now missing aiida tutorial page
* Finished new aiida-lammps 
* Attended the EuroSciPy 2022 conference in Basel
* Will get on to fixing a few bugs in v2.0 storage/archive

### Specific Agenda Items
* Quick demonstration of `CalcJob` monitoring feature [@sphuber] (See [discussion on `aiida-core`](https://github.com/aiidateam/aiida-core/discussions/5621))