# AiiDA core coding days 03-04 Nov 2025

###### tags: `event`

[toc]

## General Notes

* [v2.7.2 patch release](https://github.com/orgs/aiidateam/projects/24)
*

## People

### Julian

* Work with GP on disk-objectstore:
* [[# 193] Delete loose files per pack creation incrementally](https://github.com/aiidateam/disk-objectstore/pull/193)
-> First round of review by GP
* [[# 194] Add `readline` method to `PackedObjectReader` by Timo](https://github.com/aiidateam/disk-objectstore/pull/194)
-> Larger discussion: Expand to all stream types. First draft of implementation of `readline` and `readlines` for all stream types ready.
* `aiida-core` 2.7.2
* [[# 7073] Fix duplicated and poorly formatted `verdi code show` output](https://github.com/aiidateam/disk-objectstore/pull/193) -> merged, thanks Edan! Also, issue with pydantic MetadataField identified.
* Going forward:
* Finalize DOS PRs
* Review PRs by DH (sorry, didn't manage :smiling_face_with_tear:)
* `aiida-core` 2.7.2... we should decide what to include and what to postpone, maybe I can steal some time at the end of this meeting

### Giovanni

* [x] Merge doc improvement PR on clarification of creation of nodes in WorkChains [[#7068]](https://github.com/aiidateam/aiida-core/pull/7068)
* Work with JG on
* [x] Merge [reduction of safe interval for SSH [# 6599]](https://github.com/aiidateam/aiida-core/pull/6599) (and possibly close [[#6595]](https://github.com/aiidateam/aiida-core/pull/6595) if not easy to implement) **Discussed how to proceed, JG will comment on the issues**: *6595 will be closed, 6599 will only add docs for high-throughput users (possibly making that section easier to find by bringing higher up in the hierarchy of how-to guides) and do a benchmark of number of open connections for 1 and 10 workers - but in any case we merge before 2.8*
* [x] stream directly into packs during import: [[# 6417]](https://github.com/aiidateam/aiida-core/pull/6417): **Wait for Zisen to wrap it up; postponed**
* [ ] disk-objectstore (See issues above). **Discussed plan for #194, didn't have time to check #193 yet**.
* [x] Prepare PR to fix execution of PortableCodes (missing `./`) **PR created: [[# 7080]](https://github.com/aiidateam/aiida-core/pull/7080)**
* [x] Prepare PR for incorrect output of `verdi code list` for codes without Computer (which are not appearing, e.g. PortableCodes) **PR created: [[# 7081]](https://github.com/aiidateam/aiida-core/pull/7081)**
* [x] Prepare PR on `aiida-shell` to support `monitors` **Done: [[#111]](https://github.com/aiidateam/aiida-shell/pull/111)**
* [x] Prepare blog post on monitors (once PRs are ready) **Blog post written and sent to Julian**
* [x] Finalize PR on pausing BaseRestartWorkChain on unhandled errors: [[#7069]](https://github.com/aiidateam/aiida-core/pull/7069) **Discussed with Carlo and Marnik; Marnik will take care of finalizing it.**

### Marnik

>[!Important]
> I've been using Ali's fix for the `core.ssh_async` transport [[#7061](https://github.com/aiidateam/aiida-core/pull/7061)] quite a bit. I think having this merged soon would be great! The old `core.ssh` message returns deprecation messages (e.g. when testing the computer), but the new `core.ssh_async` has the "early retrieval" issue. So I was a bit stuck while helping a collaborator here with setting up their computer "cleanly".

- Take over work on adding more flexibility to how the `BaseRestartWorkChain` deals with "unhandled" failures [[#7069](https://github.com/aiidateam/aiida-core/pull/7069)].

Main idea here is to add one string/enum input: `on_unhandled_failure`, with options `'abort'`, `'pause'`, `'restart_once'`, `'restart_and_pause'`. **Comments _very_ welcome**, since adding an input here will translate to all `BaseRestartWorkChain` classes in the ecosystem.

- [[#6376](https://github.com/aiidateam/aiida-core/issues/6376) | [#7037](https://github.com/aiidateam/aiida-core/issues/7037)]: `TrajectoryData` does not preserve periodicity information.

### Miki

- Finalization of `StructureData`: documentation and tests -> done!
- Prepare PRs for aiida-core/quantumespresso/pseudo support -> ready by tomorrow

### Edan

- REST API!
- Main [PR](https://github.com/aiidateam/aiida-restapi/pull/93)
- Easier
- Ensure coverage of old (and still desireable) endpoints
- Easy(?)
- Decide on QB-like endpoint
- Keep/clean graphQL (easier(?)/standard syntax), or
- Implement custom logic
- Less easy
- Pydantic dependency
- [PR](https://github.com/aiidateam/aiida-core/pull/6990) mostly done
- Questions remain w.r.t file handling/serialization

- Other open PRs
- Duplication in `verdi code show` by Julian - review [PR](https://github.com/aiidateam/aiida-core/pull/7073)

### Xing [Can not join the meeting]
- AiiDA GUI, add aiida-explorer
- Had a discussion with Edan, we decide to wait a little bit for the rest api PR.
- WorkGraph and airflow integration
- Had a discussion with Ali, exchanged the idea and progress.
- Please refer to this [example](https://node-graph-engine.readthedocs.io/en/latest/engines/airflow.html) for the airflow integration.
- Totally, tested 10 workflow [engines](https://node-graph-engine.readthedocs.io/en/latest/index.html#) (include AiiDA and Airflow) to run the workflow (WorkGraph), and generate the same data provenance.

### Ali
- airflow-prototype: auto-"translate"/register all installed calcjobs and workchains
- [Fix premature retrieval of output files before job completion in async engine](https://github.com/aiidateam/aiida-core/pull/7061)

### Nataliya
- finalize the input customization page for AiiDA-QE docs
-> get feedback from alberto, stefan, other LMS people using aiida, not from the MSD team

### Jason

- review Daniel's PRs on `nest_asyncio`, and support py3.14.
- check people with jupyter-core. (https://github.com/jupyter/nbclassic/blob/main/pyproject.toml rely on nest_asyncio as well and stuck at py3.13)

### Alex

Airflow integration:
- A WorkChain triggered through airflow can now submit other Processes through the [Trigger Dag Run REST API endpoint](https://airflow.apache.org/docs/apache-airflow/stable/stable-rest-api-ref.html#operation/trigger_dag_run). Would like to test a BaseRestartWorkChain. Does Timo have an example file available I can test? Does not matter if dummy or real example. Please send me on slack. Technical details on this are written in commit message https://github.com/aiidateam/airflow-prototype/commit/377c785d2c12ade123e8eeba92bb2c30db4280c3

### Daniel H
- Some devops PRs (in `aiida-core`, `disk-objectstore`)
- typing PRs
- bug in UnstashCalculation (calling `whoami_async` in sync context) https://github.com/aiidateam/aiida-core/pull/7083
- will work on merging async_ssh: Use async semaphore instead of manual locking" https://github.com/aiidateam/aiida-core/pull/7018 (would be good to include in 2.7.2)
- Could I be added to the aiida-core team at HackMD? (makes it easier to find these notes)
- reviewing the TrajectoryData PR from Marnik
- reviewing the JobList fix from Ali

### Michael
- Added documentation for `PwBandsWorkChain`
- https://github.com/aiidateam/aiida-quantumespresso/pull/1205
- Added documentation for `PDosWorkChain`
- https://github.com/aiidateam/aiida-quantumespresso/pull/1206