---
# System prepended metadata

title: AiiDAlab Meeting 2022-06-21
tags: [Meeting]

---

AiiDAlab Meeting 2022-06-21
===

###### tags: `Meeting`

:::info
- **Location:** https://epfl.zoom.us/j/65206247396 *(Please request password on slack)*
- **Date:** June 21, 2022 11h (CET)
- **Agenda**
1. General Updates `10 min`
1. Roadmap discussions `15 min` 
    - Discussion point: Support for Python versions >3.7 and AiiDA 2.0.
1. Technical discussions `15 min`
1. Tasks and next steps`5 min`

- **Participants:**
    - Simon [EPFL] (csa)
    - Jason [EPFL] (jy)
    - Mouyi [EPFL] (mw)
    - Dou [EPFL] (dd)
    - Sasha [Empa] (ay)
    - Loris [EPFL] (le)
    - Carlo [Empa] (cp)
    
- **Host:** csa
- **Reference:** - [Last week meeting minute](/s/ioiIIv-2QJ2qZDBPBS-wRA)

:::

:ballot_box_with_check: Tasks
--

- [ ] (mw) Aiidalab-environ: Add a part of total energy output in the step 4. 
- [ ] (csa) Experiment with KubeSpawner to launch services on Kubernetes.
- [ ] (mb) Learn how to use Azure deployment.
- [ ] (ay) Revise docker (aiidalab-launch) approach to launch additional services in separate container.
- [ ] (dd) Finalize the widget-bandsplot.
- [x] (csa) On-board Xing and Jason to Azure.
- [ ] (csa) Check that the accesss to the aiidateam docker bot account is shared.


:spiral_note_pad: Notes
--


Simon:
- Discussion point: Support for Python versions >3.7 and AiiDA 2.0.


Sasha:
- Enabled all the features that were present in the old docker approach.
    - Need to go through the containers (aiida-prerequisites, aiida-core, aiidalab) to perform final check in case something is still missing.
    - Things got much easier thanks to the feature that Docker has when mounting volumes. If volume is empty - the info gets copyied from the folder the volume is mounted to. For more info, see [here](https://docs.docker.com/storage/volumes/#populate-a-volume-using-a-container).
- The `aiidateambot` docker bot account is currently the only one with permission to push to the aiidateam/aiida-core and aiidateam/aiida-prerequisites accounts. The only person with access is Sebastiaan. This means we are currently not able to push new images to the repository. See the [0.5.0. release PR](https://github.com/aiidateam/aiida-prerequisites/pull/40#issuecomment-1156596508) that got stuck because of this.
- On PostgreSQL migration, see the [issue in aiidalab-docker-container](https://github.com/aiidalab/aiidalab-docker-stack/issues/25) that contains the migration scripts capable of doing the migration from version 9 to 10 of PostgreSQL


-Mouyi:
- Discussed with Iurii, about the XANES(XAS) calculation. He has a workflow (shell script) on QE to calculate XANES. But he doesn't have a aiida plugin. If we need to build a aiidalab-app for XANES(XAS), we need to start from aiida plugin. (XPS is another story, it is different from XANES calculation, don't know if we have a workflow to calculate the XPS)
- Can print out the input parameters of environ on aiidalab-environ. Still working on the output parameters. 



-Dou:
- Finalized the DOS part by this Firday (24th, June)


Jason:
- ssspApp demo.
