# AiiDA Team Meeting 2022-11-01

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

[TOC]

### Present

* Chris
* Francisco
* Jusong
* Xing
* Marnik
* Kristjan
* Giovanni
* Sebastiaan

### Catch-up round

*Max. 3 minutes each*

Sebastiaan:
* **Miscellaneous**
* Please go through your outstanding PRs and clean them up, closing those that are no longer applicable or updating them and requesting active review.
* Status of `aiida-restapi`? Got multiple requests for support to submit processes over REST API. I can dedicate time to advance this project. Should probably implement generic [data serialization/deserialization](https://github.com/aiidateam/aiida-core/issues/5464) in `aiida-core` first?
* **Releases**
* [`kiwipy==0.8.2`](https://github.com/aiidateam/kiwipy/releases/tag/v0.8.2): Upgrades to new `aio-pika` which should bring robust connection stability improvements.
* [`plumpy==0.22.0`](https://github.com/aiidateam/plumpy/releases/tag/v0.22.0): Upgrades to new `kiwipy` and some bug fixes.
* `aiida-core==2.1.0`: Release branch with [`CHANGELOG.md`](https://github.com/aiidateam/aiida-core/blob/release/2.1.0/CHANGELOG.md) is ready. Only [4 issues in milestone](https://github.com/aiidateam/aiida-core/milestones/v2.1) remaining (two are duplicate) and all have an open PR.
* **Merged PRs**
* CI: Fix the `benchmark.yml` workflow [[#5725]](https://github.com/aiidateam/aiida-core/pull/5725)
* Engine: Do not let `DuplicateSubcriberError` except a `Process` [[#5715]](https://github.com/aiidateam/aiida-core/pull/5715)
* Process: Add hook to customize the `process_label` attribute [[#5713]](https://github.com/aiidateam/aiida-core/pull/5713)
* `CalcJob`: Extend `retrieve_list` syntax with `depth=None` [[#5651]](https://github.com/aiidateam/aiida-core/pull/5651)
* ORM: Return `None` in `get_function_source_code` instead of excepting [[#5730]](https://github.com/aiidateam/aiida-core/pull/5730)
* Tests: Make daemon fixtures available to plugin packages [[#5701]](https://github.com/aiidateam/aiida-core/pull/5701): new section with documentation on how to use [`aiida-core` test fixtures](https://aiida.readthedocs.io/projects/aiida-core/en/latest/topics/plugins.html?highlight=started_daemon_client#plugin-test-fixtures)
* Docs: add section on basic performance benchmark [[#5724]](https://github.com/aiidateam/aiida-core/pull/5724): provides [plug-n-play script to test basic performance](https://aiida.readthedocs.io/projects/aiida-core/en/latest/howto/installation.html#tuning-performance) of AiiDA instance
* Fixtures: Fix bug in reset of `empty_config` fixture [[#5717]](https://github.com/aiidateam/aiida-core/pull/5717)
* `verdi plugin list`: Show full help for input and output ports [[#5711]](https://github.com/aiidateam/aiida-core/pull/5711)
* `verdi plugin list`: Show which exit codes invalidate cache [[#5710]](https://github.com/aiidateam/aiida-core/pull/5710)
* Mark relevant `Process` exit codes as `invalidates_cache=True` [[#5709]](https://github.com/aiidateam/aiida-core/pull/5709)
* Tests: Suppress logging and warnings from temporary profile fixture [[#5702]](https://github.com/aiidateam/aiida-core/pull/5702)
* Docs: Replace `verdi code setup` with `verdi code create` [[#5704]](https://github.com/aiidateam/aiida-core/pull/5704)
* CLI: Add the `devel launch-add` command [[#5733]](https://github.com/aiidateam/aiida-core/pull/5733)
* **Open PRs**
* Dependencies: Update requirements for `kiwipy` and `plumpy` [[#5732]](https://github.com/aiidateam/aiida-core/pull/5732)
* `TrajectoryData`: Fix bug in `get_step_data` [[#5734]](https://github.com/aiidateam/aiida-core/pull/5734)
* `QueryBuilder`: Fix bug when mutating nodes during iterall [[#5731]](https://github.com/aiidateam/aiida-core/pull/5731)
* RabbitMQ debug tools [[#5718]](https://github.com/aiidateam/aiida-core/pull/5718)
* Process: Allow `None` for input ports that are not required [[#5722]](https://github.com/aiidateam/aiida-core/pull/5722)
* AEP: `CalcJob` live monitoring [[#5659]](https://github.com/aiidateam/aiida-core/pull/5659): Waiting for feedback from Francisco if it satisfies requirements for Aurora project
* `Process`: properly cleanup when exception in state transition [[#5697]](https://github.com/aiidateam/aiida-core/pull/5697): This bug crops up consistently in our tutorials where we have people on purpose write a workchain returning an invalid output node which excepts the process, but the node is not cleaned up properly, so it always remains listed as `Running`. This is highly confusing and annoying. The problem is fixed but relies on update of `plumpy` (see point above).
* `ProcessFunction`: Add support for variadic arguments [[#5691]](https://github.com/aiidateam/aiida-core/pull/5691): Do we add this feature or forget about it. I don't think we will ever come to changing the database schema that would allow the other proposed implementation (at least not anytime soon).
* **Issues**
* Extras cannot be set when using `QueryBuilder.iterall` [[#5672]](https://github.com/aiidateam/aiida-core/issues/5672): The issue reports that it was introduced in `2.0.4` but I have confirmed it appears as early as `1.6.9` and probably always was there for the SqlAlchemy backend. Found the problem, but no working fix yet.

Jason:
* AiiDA plugin hackathon 21/22 Nov, [here](https://docs.google.com/spreadsheets/d/1owOdlpYd_-qBGQN6Mj6vGXlWOXRdUQnpfglUBYiN6AY/edit#gid=0) is the draft agenda.
* Open the [discussion (AEP)](https://github.com/aiidateam/aiida-core/discussions/5714) for how to move to "AiiDA only" docker stack.

Marnik:
* Just came back from holiday, so not much to report.
* Tutorial wrap-up tasks:
* Shutting down the machines: done
* Writing little blog post: First release new website?
* Update tutorial home page: will try to finish by the end of this week.

Chris:
* Also just back from holiday
* Fixing report (from Austin) on importing archive into existing profile with lots of existing nodes
* finalise tutorial with Marnik
* finalise aiida-website, will move over this week hopefully
* finalise quantum mobile for aiida 2.0
* still outstanding questions with ARM64 architectures, but will put that aside for now (synchronize with aiidalab stuff with Jusong)
* node serialize/deserialize
* The main "block" is how to handle binary data
* firecrest transport/scheduler
* The main "block" is how to handle movement of large data (smaller than *x* Mb can be transferred over REST, larger then it gets more a lot more complex)

Francisco:
* Setting up the Aurora packages in the AiiDAlab docker container.

Giovanni:
* out of office most of the past two weeks
* Status of tutorial wrap-up? Chris, Marnik, can it be done by the end of this week?
* Update [homepage of tutorials](https://aiida-tutorials.readthedocs.io/en/latest/) to point to the 2022 tutorial so people find it
* Make sure Azure is fully shut down
* Add instructions to use Quantum Mobile [in the setup page](https://aiida-tutorials.readthedocs.io/en/tutorial-2022-intro/sections/getting_started/setup.html), instead of Azure (remove/comment the Azure ones)
* Monitor costs on Azure, write small report (just an email with the actual incurred costs and some explanation is enough)
* Write "blog" page for tutorial ([copy-paste last year](https://www.aiida.net/aiida-virtual-tutorial-july-2021/)), including key results from the feedback form
* Publish demo video
* (even if not really about the tutorial): deploy new AiiDA website!
* Wrap-up meeting to discuss tutorial feedback and our own feedback: next week, or as part of the next AiiDA meeting?
* Any feedback for the SwissTwins project and its milestones? Otherwise I go ahead and prepare them.
* Plugin support days: is there a registration? do we now who joins? Are we sure we are not forgetting anyone?

### Specific Agenda

- AiiDA plugin hackathon on 21st/22nd November.
- Next action: After we finalize the agenda, I'll send it to people and user mailing list.