# AiiDA Team Meeting 2022-10-19

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

[TOC]

### Present

* Jason
* Sebastiaan
* Giovanni
* Xing
* Kristjan
* Francisco

### Catch-up round

*Max. 3 minutes each*

Jason:

* AiiDA plugin hackathon 21/22 Nov, [here](https://docs.google.com/spreadsheets/d/1owOdlpYd_-qBGQN6Mj6vGXlWOXRdUQnpfglUBYiN6AY/edit#gid=0) is the draft agenda.
* [PR #5667](https://github.com/aiidateam/aiida-core/pull/5667) Containerized code PR merged finally 🎉.
* We didn't manage to support docker and conda yet.
* This feature can be useful also for writing nightly CI test.
* I add a new AiiDAlab docker stack - the [`slim` stack](https://github.com/aiidalab/aiidalab-docker-stack/pull/319) for AiiDA only purpose. It does not has Rabbitmq and postgresql include but can be start with docker-compose with them as services which is the "standard" way of launching docker with services.
* [Open PR#5696](https://github.com/aiidateam/aiida-core/pull/5696) Doc: replace the aiida-prerequisites.
* We can push the image to `aiidateam` as a mirror of docker stack from `aiidalab`.
* Misc:
* [Open PR#5698](https://github.com/aiidateam/aiida-core/pull/5698) wrapt bumper to 1.14, which fix the issue that conda install for python 3.10 failed.
* `check-requirements` workflow failed because of [`GITHUB_TOKEN` has no write permission](https://github.com/aiidateam/aiida-core/actions/runs/3237939116/jobs/5305812604), maybe because of write permission of workflow not set for the `aiidateam` organization? I find from [Github Doc](https://docs.github.com/en/organizations/managing-organization-settings/disabling-or-limiting-github-actions-for-your-organization#setting-the-permissions-of-the-github_token-for-your-organization) that it is limited by the organization. I think it needs to be admin of the aiidateam to change it.
* Where to find the Louis video for declaritive workflow? -> Xing

Kristjan:
* Working on the React app for AiiDA common workflows project
* CSCS visit - next year Jan/Feb

Marnik:
* Tutorial wrap-up:
* Done
* Tearing down the Azure deployment (However, who owns the _factual burro_?)
* TODO
* Writing a report + put it on the website
* Adapting the material to remove tutorial-specific items.

Sebastiaan:
* **AEP**:
* Add AEP: Allow `CalcJobs` to be actively monitored and interrupted [[#36]](https://github.com/aiidateam/AEP/pull/36): Merged and fully implemented in [[PR #5659]](https://github.com/aiidateam/aiida-core/pull/5659). Looking to merge this PR by end of the week/early next week to release with v2.1.
* **Releases**
* `aiida-core==2.0.4`: Various smaller bug fixes [CHANGELOG.md](https://github.com/aiidateam/aiida-core/blob/v2.0.4/CHANGELOG.md)
* `aiida-core==2.1`: Prepared the branch with useful overview of new features with quick examples and link in the [CHANGELOG.md](https://github.com/aiidateam/aiida-core/blob/release/2.1.0/CHANGELOG.md). 3 issues remaining on the milestone to be closed (1 is a duplicate)
* `kiwipy==8.0`: Updated all dependencies, most importantly `aio-pika` which comes with connection stability fixes. Unfortunately, unintentionally made interface of `RmqThreadCommunicator` async, which needs to be fixed first. Working on it with @muhrin. Needs to be fixed before `plumpy` and `aiida-core` can depend on this new release
* **Issues**
* Extras cannot be set when using `QueryBuilder.iterall` [[#5672]](https://github.com/aiidateam/aiida-core/issues/5672): This bug was introduced in `v2.0.4` when fixing another `QueryBuilder` related bug that was introduced in `v2.0.0`.
* Conda builds as of v2.0.2 are broken due to dependency conflict: [[#76]](https://github.com/conda-forge/aiida-core-feedstock/issues/76)
* **Merged PRs**
* `ProcessFunction`: Automatically serialize Python base type inputs [[#5688]](https://github.com/aiidateam/aiida-core/pull/5688)
* `plumpy`: `StateMachine`: transition directly to excepted if transition failed [[#240]](https://github.com/aiidateam/plumpy/pull/240)
* `plumpy`: Dependencies: Add support for Python 3.10 [[#242]](https://github.com/aiidateam/plumpy/pull/242)
* CLI: Add the `verdi devel revive` command [[#5677]](https://github.com/aiidateam/aiida-core/pull/5677)
* Process control: Add the `revive_processes` method [[#5677]](https://github.com/aiidateam/aiida-core/pull/5677)
* `verdi setup`: Add the `--profile-uuid` option [[#5673]](https://github.com/aiidateam/aiida-core/pull/5673)
* `Code`: Use deprecated legacy code as base class for successors [[#5680]](https://github.com/aiidateam/aiida-core/pull/5680)
* Tests: Add the `EntryPointManager` exposed as `entry_points` fixture [[#5656]](https://github.com/aiidateam/aiida-core/pull/5656)
* `PluginVersionProvider`: Add support for entry point strings [[#5662]](https://github.com/aiidateam/aiida-core/pull/5662)
* `ArithmeticAddCalculation`: Add the `metadata.options.sleep` input [[#5663]](https://github.com/aiidateam/aiida-core/pull/5663)
* DevOps: Fix the nightly slack notification on PRs from forks [[#5675]](https://github.com/aiidateam/aiida-core/pull/5675)
* DevOps: Remove `--use-feature` flag in `pip install` of CI [[#5703]](https://github.com/aiidateam/aiida-core/pull/5703)
* Engine: Do not call serializer for `None` values [[#5694]](https://github.com/aiidateam/aiida-core/pull/5694)
* Refactor: remove unnecessary use of `tempfile.mkdtemp` [[#5639]](https://github.com/aiidateam/aiida-core/pull/5639)
* Tests: Only reset database connection at end of suite [[#5641]](https://github.com/aiidateam/aiida-core/pull/5641): Deal with tests failing randomly due to too many clients being active to the database
* **Open PRs**
* AEP: `CalcJob` live monitoring [[#5659]](https://github.com/aiidateam/aiida-core/pull/5659)
* `plumpy`: Dependencies: Update requirement `kiwipy~=0.8.0` which updates `aio-pika` requirements [[#243]](https://github.com/aiidateam/plumpy/pull/243)
* `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 elsewhere).
* `CalcJob`: Extend retrieve_list syntax with depth=None [[#5651]](https://github.com/aiidateam/aiida-core/pull/5651)
* `ProcessFunction`: Add support for variadic arguments [[#5691]](https://github.com/aiidateam/aiida-core/pull/5691)
* Tests: Make daemon fixtures available to plugin packages [[#5701]](https://github.com/aiidateam/aiida-core/pull/5701)
* 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)
* **Miscellaneous**
* The new `aiida.common.warnings.warn_deprecation` function by design only prints the warning if the `AIIDA_WARN_V3` environment variable is enabled. This was done to prevent users being flooded with deprecation warnings and saying that plugin developers can enable the variable in their tests. But end-users are not warned at all either and they are not likely to set this variable. Typical example is the `Code` class being deprecated and users are currently not warned, which I think is problematic. Should we make an exception for certain warnings to be *always* shown?

Giovanni:

- Remaining wrap-up tasks from tutorial (I suggest that Chris coordinates them with the help of Marnik, and they should be done within one week from when he's back, i.e., by Wed 3rd Nov):
- Update homepage of tutorials to point to the 2022 tutorial
- Make sure Azure is fully shut down
- Add instructions to use Quantum Mobile in the setup page, instead of Azure (remove/comment the Azure ones)
- Monitor costs, write small report
- Write "blog" page for tutorial (copy-paste last year), including key results from the feedback form
- Publish demo videos (split in small chunks?)
- (even if not really about the tutorial): deploy new AiiDA website!

Francisco
- Helping with the Hackathon
- Taking charge of the AiiDA-aurora dev.

Xing
- Any plan for using yaml file for workflow, e.g common workflow language?
- Any plan for node graph editor GUI?

### Specific Agenda Items

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