# AiiDA Team Meeting 2022-07-27

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

[TOC]

### Present

* Simon
* Marnik
* Sebastiaan
* Francisco
* Kristjan
* Jason
* Giovanni

### Catch-up round

*Max. 3 minutes each*

Francisco:
* Working on prototype for a [calcjob monitor](https://github.com/ramirezfranciscof/aiida-calcmonitor). Addressing "Live monitoring of Calcjobs" in the [core roadmap](https://github.com/orgs/aiidateam/projects/3).
* First version: currently implemented as a separate calcjob that should be submitted to the localhost where AiiDA is installed (and uses AiiDA infrastructure: i.e. gets the files with transport loaded from the calcjob, kills the job through verdi commands).
* Ideas for possible improvements on current limitations: incorporate into the tasks of a calcjob, have a separate engine/server that handles monitoring requests.

Simon:
* The [scheduled test-install](https://github.com/aiidateam/aiida-core/actions/workflows/test-install.yml?query=event%3Aschedule) workflow is failing.
* Working on various AiiDAlab issues, including an overhaul of the Docker image to be based on the standard Jupyter base images.
* Working on preparing the AiiDAlab image to be used in the context of "shared" AiiDA servers.
* Presented on AiiDAlab at the SciPy 2022 conference in Austin, TX.

Sebastiaan:
* **Releases**:
* Released [`v2.0.2`](https://github.com/aiidateam/aiida-core/releases/tag/v2.0.2) with some fixes for the REST API. Executed together with Kristian. Updated the release instructions while doing it to adapt to the new branching strategy. [Already added to the wiki in new section](https://github.com/aiidateam/aiida-core/wiki/How-to-make-a-new-release#making-a-patch-release). I will integrate it soon with existing docs and clean up outdated info.
* **Merged PRs**:
* REST API: make the profile configurable as request parameter [[#5054]](https://github.com/aiidateam/aiida-core/pull/5054)
* Deprecate `Profile.repository_path` [[#5516]](https://github.com/aiidateam/aiida-core/pull/5516)
* `BaseRestartWorkChain`: fix `handler_overrides` ignoring `enabled=False` [[#5598]](https://github.com/aiidateam/aiida-core/pull/5598)
* `CalcJob`: allow wildcards in `stash.source_list` paths [[#5054]](https://github.com/aiidateam/aiida-core/pull/5054)
* **Open PRs**:
* DevOps: Add a notification for nightly workflow on fail [[#5605]](https://github.com/aiidateam/aiida-core/pull/5605): Should be good to go
* Automatically converted news entries to markdown format [[aiida-website#21]](https://github.com/aiidateam/aiida-website/pull/21)
* **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.

Jason:
* Was on holiday last week. Working on finalize [containerized code](https://github.com/aiidateam/aiida-core/pull/5507), Chris mentioned it is worth to take running MPI inside container to compatible running in conda env.
* [AEP draft](https://github.com/aiidateam/AEP/pull/35/files) for caching process with `RemoteData` problem.

Marnik:
* Tutorial day: fill in the doodle if you haven't already:
https://doodle.com/meeting/participate/id/aAnknApb
* Advertisement: [check out the google doc](https://docs.google.com/document/d/1iQsRrwbtI6b4N6_ucr8nQcYM8TiLZKX7nvYKWNyf3tU/edit#heading=h.bndat15lznjp) and feel free to add comments.
* Similarly: tutorial [Application form](https://docs.google.com/forms/d/1odONRHzoma2lp32iwJu4yLLsAdARG_kuQVS7QPw6If4/edit).
* Pinky swear promise to release `aiida-quantumespresso` compatible with v2.0 today.

Giovanni:
* Comment of Nicola on focus of the tutorial. In particular, goal of re-running a pre-run sequence of calculations (maybe leveraging containerized codes?)
* Meeting with people from SDSC
* Next two meetings
* Check roadmap
* SwissTwins project

### Specific Agenda Items