# AiiDA Team Meeting 2024-05-29

###### tags: `team meetings`
###### time: 14:00 CET

[TOC]

### Present

* Julian
* Sebastiaan
* Miki
* Ali

### Catch-up round

*Max. 3 minutes each*

Julian
- Bring up Marvel review slides ([see here](https://docs.google.com/presentation/d/1hCbZpcH56BrkLbYsrSl340Sfu-kSMOqS/edit#slide=id.p1)) with use cases (keep short to be able to focus on blocking PRs)
- Dumping merged (yey)
- [Stream directly to `packed` during `verdi archive import`](https://github.com/aiidateam/aiida-core/pull/6417) (detailed answer by Gio)
- Working on `aiida-cwl`, `aiida-koopmans` (hackathon last week), and `aiida-atomistic` (new StructureData with Miki and Ali)
- [The AiiDA Ten Commandments (proposal) - Short summary of most important AiiDA concepts](https://github.com/aiidateam/aiida-core/issues/6430)

Jason (on holiday, please help me to mention this @Xing)
* Daniel Hollas proposed in AiiDAlab meeting that since in AiiDAlab docker stack (also aiida-core image) we support arm64 and using RMQ of latest version from ubuntu so the latest version may not backward supported for aiida, it is better to also add tests to RMQ > 3.8.
* Can `to_aiida_type` be default for input ports of basic python types? It is a bit annoy sometime I forget to convert basic things passed in to AiiDA type. (feature request already exists: https://github.com/aiidateam/aiida-core/issues/5890 )

Sebastiaan
* Release: only [1 final blocking PR](https://github.com/aiidateam/aiida-core/pull/6348) remaining. See discussion by Marnik
* [`SqliteDosStorage`: Implement the storage backup](https://github.com/aiidateam/aiida-core/pull/6370): `verdi storage backup` now works for `core.sqlite_dos`
* [Archive: Respect `filter_size` in query for existing nodes](https://github.com/aiidateam/aiida-core/pull/6404): It should now be possible to import any archive into a `core.sqlite_dos` profile
* Discussion: [add/replace `verdi` with `aiida` ](https://github.com/aiidateam/aiida-core/pull/6383)
* [Migration: Drop the hashes for all nodes](https://github.com/aiidateam/aiida-core/pull/6350): Decided to not merge this and not add a migration to drop the hashes. Instead we will add to the release notes the instruction on how to rehash the nodes. The idea is to no longer add migrations unless really really necessary. Also, currently the migrations would break for `core.sqlite_dos` profiles (see PR below for the fix)
* [`SqliteDosStorage`: Make the migrator compatible with SQLite](https://github.com/aiidateam/aiida-core/pull/6429):

Miki
* Coordinating with Julian and Ali for atomistic `StructureData`
* main design decision is (to keep) the mutability of unstored StructureData, see [this issue](https://github.com/aiidateam/aiida-atomistic/issues/9)
* second decision is to still define the kinds as (site-)property, see [this comment](https://github.com/aiidateam/aiida-atomistic/issues/4#issuecomment-1959309537): remove `Kind` class and provide the `kind_name` attribute in the `Site` class
* `aiida-koopmans` (hackathon last week)

Ali
- why not merging [PR 6043](https://github.com/aiidateam/aiida-core/pull/6043) before the release?
- working on `aiida-firecrest` and `aiida-atomistic`

Xing:
* AiiDA-WorkGraph
[Add builtin PythonJob to run Python function on a remote computer](https://aiida-workgraph.readthedocs.io/en/latest/howto/aiida_python.html): enable users from non-AiiDA communities to run their Python functions remotely and construct workflows with checkpoints, maintaining data provenance. For instance, users can use ASE’s calculator to run a DFT calculation on a remote computer directly.

Marnik:
* Mostly working on the broken file copying issues due to our introduction of a feature to allow changing the copy order, see https://github.com/aiidateam/aiida-core/pull/6348.
* Will write down summary in Discourse topic.
* Meeting on Friday to finalise decisions here?
* Still haven't gotten around to organising an AiiDA-core coding week (at PSI). Maybe 15-19 July?

Daniel:
* Working on enabling running the test suite with presto profile (without RabbitMQ and PostgreSQL services). https://github.com/aiidateam/aiida-core/pull/6425
* working on providing Erlang and RabbitMQ on conda-forge for arm64 architecture. Testers welcome! https://github.com/conda-forge/erlang-feedstock/pull/159
* What RabbitMQ versions arep eople using? https://aiida.discourse.group/t/supported-rabbitmq-versions/392

Alex:
* Working on usability of verdi CLI [aiida-core/#6389](https://github.com/aiidateam/aiida-core/pull/6389), [aiida-core/#6426](https://github.com/aiidateam/aiida-core/pull/6426), [aiida-core/#6428](https://github.com/aiidateam/aiida-core/pull/6428) and being issue factory
* Making aiida-restapi CI work again [aiida-restapi/#67](https://github.com/aiidateam/aiida-restapi/pull/67), [aiida-restapi/#68](https://github.com/aiidateam/aiida-restapi/pull/68)
* tox is not really working with all tests, some are hard to make work so maybe structuring tox to only run tests that should work, but seems maybe not worth the effors, anyone using tox except of me?

Kristjan:
* [`aiida-restapi` issue about`aiida-explorer` endpoints](https://github.com/aiidateam/aiida-restapi/issues/69)

### Specific Agenda Items