# AiiDA Team Meeting 2025-07-24

###### tags: `team meetings`
###### time: 10:00 Zürich time (Thurdsays, every two weeks)

[TOC]

### Present

* Marnik
* Julian
* Edan
* Giovanni
* Xing

### Team compass link
https://github.com/orgs/aiidateam/projects/5

### Catch-up round

*Max. 3 minutes each*
*Please keep items separated in the two categories "Topics aligned with Team compass issues" and "Other topics" (see link above).

#### Marnik
##### Topics aligned with Team compass issues
* Deprecation of `core.ssh` transport? Do we want to keep it? Replace with `core.ssh_async`? See [this comment](https://github.com/aiidateam/aiida-core/issues/6941#issuecomment-3076483876).
* Can we make `core.ssh_async` computers automatically configurable?
* -> Probably schedule a different meeting for this, don't start ranting immediately por favor. Schedule meeting with Ali, Timo, me, Xing.
##### Other topics
* `aiida-hyperqueue` v0.3.0 released, and back under my wing.
* Working on text fixtures: https://github.com/aiidateam/aiida-core/issues/3473. Anyone else working/worked on this recently? I think Daniel Hollas seems to be taking up this task.
* Anyone objects to me adding Daniel Hollas in our Discourse team chat? ✅
* I've been looking into [`copier`](https://copier.readthedocs.io/en/latest/) for templating Python packages. Will probably replace [the AiiDA plugin cutter](https://github.com/aiidateam/aiida-plugin-cutter).

#### Julian
##### Topics aligned with Team compass issues
* Usability Issues
* [[# 6965] Don't silently migrate archive in-place for SqliteZipBackend profile creation](https://github.com/aiidateam/aiida-core/issues/6965)
* [[# 6961] Avoid always triggering migration code on SqliteZip initialisation](https://github.com/aiidateam/aiida-core/issues/6961)
* [[# 6955] `sqlite_zip` profile creation fails with an archive on a read-only file system](https://github.com/aiidateam/aiida-core/issues/6955)
* [[# 6938] Expose option to set custom base temporary directory for archive export](https://github.com/aiidateam/aiida-core/issues/6938)
* [[# 6934] Improvements to Python API and interaction with AiiDA classes (e.g., via jupyter)](https://github.com/aiidateam/aiida-core/issues/6934)
* Usability PRs
* [[# 6964] Remove migration output capturing for SqliteZipBackend initialisation](https://github.com/aiidateam/aiida-core/pull/6964) -> ✅ Merged
* [[# 6963] Prior check if migration needed on SqliteZipBackend initialisation](https://github.com/aiidateam/aiida-core/pull/6963) -> ✏️ Draft
* [[# 6946] Customize tmp dir during archive creation](https://github.com/aiidateam/aiida-core/pull/6946) -> ✏️ Draft
* [[# 6925] Add `verdi computer/code search` to query registries](https://github.com/aiidateam/aiida-core/pull/6925) -> ✏️ Draft
* [[# 6929] Fix `sqlite_zip` profile deletion with non-existent `.aiida` file](https://github.com/aiidateam/aiida-core/pull/6929) -> 👀 Waiting for review
* `disk-objectstore`: [[# 193] Delete loose files per pack creation incrementally](https://github.com/aiidateam/disk-objectstore/pull/193) -> ✏️ Draft

##### Other topics
* Blog posts: https://hackmd.io/_Ic1IR6pQ6yZYnqZUflMjg?both
* Renku v2 integration
* `aiida-core` coding days misunderstanding: Purpose is general maintenance

#### Edan
##### Topics aligned with Team compass issues
- WorkGraph
- docs in final stages of updating
- AiiDA REST API
- Concrete plan discussed internally
- Collecting endpoints
- REST API AEP to be opened next week detailing the plan
- Website redesign will have to wait at least until AiiDAlab-QE paper is out
- Same with collab-AiiDA (push/pull/etc.)

##### Other topics
- `aiida-pseudo` functional parsing?
- Got a response from EnhanceR 2025 (Sep. 4th)
- Edan+Ali AiiDA show-and-tell proposal accepted (20 min talk)

#### Xing

##### Topics aligned with Team compass issues
- Prepare for WorkGraph stable release
- doc refactor (finalize at end of this month)
- API update

- AiiDA GUI
- Will work on it from August.

##### Other topics
*

#### Giovanni
##### Topics aligned with Team compass issues
* [related to #9, make it easy to understand/rerun AiiDA calculations from the provenance graph] Support Julian with discussions on the Renku integrations, including bug discovery and improvements for import (avoid unneeded migrations, ...)
* I need to check how to "cleanly" remove certain big files form the PET-MAD dataset (huge unneeded charge densities that were not needed in the end). I think this is a valuable use case, we need to discuss if/how to support this usecase in AiiDA (would break immutability of nodes/of the provenance of sealed processes), and if/how this affects sharing (we do assume immutable nodes), and if we do just allow deleting, or we want to keep a track that files existed but were deleted by the user (might be useful both to avoid "why is this happening" moments when looking at old profiles, but also to alleviate the technical difficulties with non-immutable data sharing.

##### Other topics
*

#### Ali
##### Other topics
- Applied some feedbacks from @mbercx on `core.ssh_async`
- aiida-firecrest is being tested by Ricoh, giving constructive feedbacks, fishing bugs
- Hitting deadends for unstashing design
- Reviewing Daniel's PRs

### Specific Agenda Items
* ...