# AiiDA Team Meeting 2022-11-16

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

[TOC]

### Present

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

### Catch-up round

*Max. 3 minutes each*

Sebastiaan:
* **Releases**
* [`2.1.0`](https://github.com/aiidateam/aiida-core/blob/v2.1.0/CHANGELOG.md): Major feature release
* [`2.1.1`](https://github.com/aiidateam/aiida-core/blob/v2.1.1/CHANGELOG.md): Some minor bug fixes and minor features
* [`2.1.2`](https://github.com/aiidateam/aiida-core/blob/v2.1.2/CHANGELOG.md): Hot-fix release to fix bug in `BaseRestartWorkChain` introduced in `v2.1.0`

* **Merged PRs**:
* RabbitMQ debug tools [[#5718]](https://github.com/aiidateam/aiida-core/pull/5718): Added under `verdi devel rabbitmq` can be used to detect and fix "zombie" processes
* `QueryBuilder`: Use a nested session in `iterall` and `iterdict` [[#5736]](https://github.com/aiidateam/aiida-core/pull/5736): Fixes bug where exception would be raised when mutating nodes during iteration, e.g., by setting extras (has been there since v1.x most likely)
* AEP: `CalcJob` live monitoring [[#5659]](https://github.com/aiidateam/aiida-core/pull/5659)
* Rename `PsqlDostoreMigrator` to `PsqlDosMigrator` [[#5761]](https://github.com/aiidateam/aiida-core/pull/5761)
* BaseRestartWorkChain: Fix bug in `_wrap_bare_dict_inputs` [[#5757]](https://github.com/aiidateam/aiida-core/pull/5757)
* Process control: Reinstate process status for paused/killed processes [[#5754]](https://github.com/aiidateam/aiida-core/pull/5754)
* Engine: Remove `*args` from the `Process.submit` method [[#5753]](https://github.com/aiidateam/aiida-core/pull/5753)
* `ProfileManager`: restart daemon in `clear_profile` [[#5751]](https://github.com/aiidateam/aiida-core/pull/5751)
* CLI: Improve the quality of `verdi code list` output [[#5750]](https://github.com/aiidateam/aiida-core/pull/5750)
* CLI: Make filename in `verdi node repo cat` optional for `SinglefileData` [[#5747]](https://github.com/aiidateam/aiida-core/pull/5747)
* Fixtures: make the `entry_points` fixture publicly available [[#5745]](https://github.com/aiidateam/aiida-core/pull/5745)
* Process functions: Add serialization for Python base type defaults [[#5744]](https://github.com/aiidateam/aiida-core/pull/5744)

* **Open PRs**:
* `StorageBackend`: Add the initialise method [[#5760]](https://github.com/aiidateam/aiida-core/pull/5760)
* Fixtures: Modularize fixtures creating AiiDA test instance and profile [[#5758]](https://github.com/aiidateam/aiida-core/pull/5758)
* Dependencies: Update requirements for `kiwipy` and `plumpy` [[#5732]](https://github.com/aiidateam/aiida-core/pull/5732)
* Process: properly cleanup when exception in state transition [[#5697]](https://github.com/aiidateam/aiida-core/pull/5697)

Marnik:
* Azure report finished, still a few "learnings" to incorporate into the [copier template](https://github.com/aiidalab/aiidalab-on-azure).
* Old tutorial website moved to `legacy` branch, RTD still points to this page for now.
* 2022 tutorial is now the `main` branch, removed live tutorial-related content.
* TODO: Add all old tutorials + links to most recent versions of Wannier tutorial. Then make `main` the default branch of RTD.

Jason:
* Hackathon: [the confirmation of schedules](<https://docs.google.com/spreadsheets/d/1MwlN8hhBsB-Tqld0Q1wPObbfMIxQJEWkurIDjhwbwg4/edit#gid=1037908460>).
* NumFocus & GSOC.
* [AiiDAlab for THEOS](http://theospc7.epfl.ch/) and QeApp migration:
* blocked by aiida-pseudo (bump version of aiida-quantumespresso needed.)
* Is the query results bind to session a good design? -> Chris.
* The issue of number of bands problem of QE workchain?

Xing:
* AiiDA node graph programming.

Kristjan:
* acwf web app online: https://materialscloud-org.github.io/acwf-web-app/
* gaussian quadrature for the integration

Francisco:
* Done: Finished testing the compatibility with aiida-aurora and reviewing the new monitoring tool.
* To-Do: Update the current aiidalab-aurora to the new changes.

Chris:
* Fixed iterall, iterdict
* Fixed archive import, when importing into large profiles
* New aiida website will go live imminently (Giovanni will switch)
* Will look at `StorageBackend` PR, but want to have a little think
* Changes/updates to https://aiida.readthedocs.io/projects/aiida-core/en/latest/internals/storage/architecture.html?
* Eventually I guess want to fully modularise backend, then also `verdi setup` and `verdi quicksetup` and `verdi profile delete` need to be handled, and change documentation
* Migrating aiida-lammps
* Quantum mobile (split into base, lite, full)

Giovanni:

* Contacted again for SwissTwins; first candidate identified
* Make sure the events page of the website
* Next meeting: Francisco, Xing, me at DTU; move it to Tue 6th? Make it 30 mins longer to discuss in detail roadmap, timeline and workplan/work division? (Using more actively the [roadmap project](https://github.com/orgs/aiidateam/projects/3))
* Have a better global coordination - e.g. if new version of AiiDA is released, we should coordinate with Materials Cloud and AiiDAlab to avoid it takes months for an update (Good to have a ref person, e.g. Kristjan + Jason)

### Specific Agenda Items

* [Marnik] Who will take care of Azure templates/deployments on EPFL side?
* [Marnik] Discussion on tutorial feedback, see short bullet-point summary of participant feedback [here](https://docs.google.com/document/d/10Qz7NWokOTtzGGl3ZIim5xqXPKzqkEBco8Jq9Woe6Fw/edit#).