# AiiDA Team Meeting 2024-10-30

###### tags: `team meetings`
###### time: 10:00 CET

[TOC]

### Present

* Alexander
* Edan
* Giovanni
* Marnik
* Ali
* Julian
* Jusong
* Miki

### Catch-up round

*Max. 3 minutes each*

Alexander:
* Want to do a minor release with bugfixes today anyone comments?
* Went through a lot of issues to mark their topic updated [team responsibilites](https://hackmd.io/hYaz4oXyTfWDUWKIKc0HUg)
- Plugin was completely forgotten, added it
- Removed tests responsibility, because every subgroup needs to be responsible for managing their pytest fixtures. Typically the issues that go in the direction of testing are more about DevOps
- Renamed Documentation -> DocPages
- I merged Dependencies with DevOps, because CI failure goes hand in hand with dependencies.
- We did not assign caching, merged Caching it with Engine and added Jason and me to engine
* The responsible teams can use the AiiDA coding week to go through the issues, identify important ones and assign them to one person

Xing:
* Nothing to report regarding aiida-core. I have a doctor's appointment and can not join the meeting.

Marnik:
* Mostly discussion re AiiDA coding week, see "Specific agenda items".
* Most pressing questions:
* Anyone who would still want to stay in a single room?
* Is it ok if we simply pay separately at the hotel when we arrive?
* 30% deposit; arrange with Nadja?

Ali:
* New PR [Transport & Engine: factor out `getcwd()` & `chdir()`](https://github.com/aiidateam/aiida-core/pull/6594)
* Developing `asyncssh` plugin, deprecating `core.ssh`
* PRs which are still open:
* [WIP: Implement option to force kill [aiida-core] together with Alex](https://github.com/aiidateam/plumpy/pull/288)
* [WIP: Implement option to force kill [plumpy] together with Alex](https://github.com/aiidateam/plumpy/pull/288)
* version check on sqlite C-language [[aiida-core]](https://github.com/aiidateam/aiida-core/pull/6567)

Julian:
* [[#6595] WIP: Keep transport open for quick tasks](https://github.com/aiidateam/aiida-core/pull/6595)
* The way I understand it, multiple Runners share Transports, so e.g. submitting 4 ArithmeticAdd at the same time to the daemon with 4 runners only uses 4 Transport openings -> I stand corrected, my tests in the past actually confirm JY and AK's comments: Multiple Jobs on one Runner share a transport.
* However, Transport is closed after every task (`upload`, `submit`, `monitor`, `retrieve`) -> One ArithmeticAdd with one runner takes 2 minutes with `safe_open_interval` of 30s
* Idea to keep Transport for an AuthInfo open for some time interval if task finishes quickly
* [[#6591] CLI: Dump only `sealed` by default and add `incremental` option](https://github.com/aiidateam/aiida-core/pull/6591): Merged
* Something Alex and I noted: No warning issued when an InstalledCode points to a file which is not executable -> Difficult to debug; possibly check when running `verdi code test`
* Master Student Zisen Liu will start mid/early November. Will come for a visit to PSI on 05/11
* Recordings from FAIR workflows workshop at Purdue University online:
* Talk: https://nanohub.org/resources/40500
* Hands-On I: https://nanohub.org/resources/40504
* Hands-On II: https://nanohub.org/resources/40505
* Panel discussion: https://nanohub.org/resources/40533

Edan:
* Not much to report on aiida-core
* For the coding week, I'll be looking into the [pydantic PR](https://github.com/aiidateam/aiida-core/pull/6255) for Data with Sabestiaan for those interested
* Will also be looking into the website
* Still need to decide what we want here
1. Content update only
2. Content + tech stack (full revamp)
* Personally preferring 2, but need to discuss
* Prelim lookup suggests engines like [Docusaurus](https://docusaurus.io/) or [Astro](https://astro.build/) may be suitable here
* Docusaurus
* builder: webpack
* framework: React
* styling: [Infima](https://infima.dev/)
* Astro:
* builder: vite
* framework: flexible, but would go with React
* styling: flexible, but would go with bootstrap
* Could publish with GitHub Pages
* ChatGPT providing some ideas for graphics

Jason:
* Presented on MolSSI JuliaMolSim workshop, the recording will be available soon.
* Positive feedback: compare to AFLOW we are more open.
* Nagative feedback: people from there think AiiDA is a super big infrastructure that no small components can be used independently. (example: the parsers can be taken out such as https://cclib.github.io/)
* Prototype on communicator to replace the rabbitmq/kiwipy.

Miki:
* No relevant updates

Giovanni:
* No relevant updates

### Specific Agenda Items

AiiDA coding retreat:

* Almost pinned down everyone's stay duration and room preference.
* Sending out email with information to all participants today, see [here](https://hackmd.io/wvjf2VYBTWuYbkls0Y-I5g#Information).
* We're currently with 21 participants, and the hotel confirmed they still have the space required.
* @giovannipizzi to fully confirm the reservation we would need to put down 30% of the total amount; maybe see how to do this with Nadja?
* Also: getting a separate invoice for each participant would be tricky apparently. Paying separately at the desk is no issue, and I'm assuming we'll get a separate receipt. Double checking all this with the hotel.