---
# System prepended metadata

title: AiiDAlab Meeting 2022-06-14
tags: [Meeting]

---

AiiDAlab Meeting 2022-06-14
===

###### tags: `Meeting`

:::info
- **Location:** https://epfl.zoom.us/j/65206247396 *(Please request password on slack)*
- **Date:** June 24, 2022 11h (CET)
- **Agenda**
1. General Updates `10 min`
1. Technical discussions `15 min`
1. Tasks and next steps`5 min`

- **Participants:**
    - Simon [EPFL] (csa)
    - Jason [EPFL] (jy)
    - Carlo [Empa] (cpi)
    - Sasha [Empa] (ay)
    - Mouyi [EPFL] (mw)
    - Dou [EPFL] (dd)
    
- **Host:** csa
- **Reference:** - [Last week meeting minute](/s/ENR4b_UyShWv8wUHkUG07A)

:::

: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) Finalize the [aiidalab-on-azure template](https://github.com/aiidalab/aiidalab-on-azure).
- [ ] (csa) On-board Xing and Jason to Azure.
- [x] (ay) Inquire with CSCS about the performance of the storage.

:spiral_note_pad: Notes
--

Simon:

 - Finalized the aiidalab-on-azure template.
     - Some remaining areas for improvement:
         - Templating user experience
         - secrets management
         - Testing and CI
         - SSL certificate management
         - A potential CycleCloud integration

Sasha:

- Have a "working" version of the AiiDAlab on docker-compose.
    - Modify the container [#254](https://github.com/aiidalab/aiidalab-docker-stack/pull/254)
        - Based on `jupyter/base-notebook:notebook-6.4.11`
        - No init system, there but..
        - Many scripts could be deleted as "standard" notebook scripts are taking care of the stuff. One need to define a bunch of variables to make them work as we want.
    - Switch to the AiiDA kernel in the home app [#98](https://github.com/aiidalab/aiidalab-home/pull/90)
    - Docker-compose file in the aiidalab-launch tool [#127](https://github.com/aiidalab/aiidalab-launch/pull/127)
    - Question:
        - Carlo: Would app-mode work in the Jupyterlab?
            - Dou: This was implemented for JL v2, but it is incompatible with v3.
        - Jason: Does the minimal jupyter notebook base image support the ARM architecture?
            - Sasha: Yes.
- Contacted CSCS:
    - They are aware of the problem, they are working on it.
    


Jason: 
 - https://github.com/aiidateam/aiida-prerequisites/pull/38 is ready to be merged. This also address https://github.com/aiidalab/aiidalab-qe/issues/210 edit mode issue.
 - openbabel release conda-forge for aarch64.
 - aiidalab-sssp demo. 
 - Try to finalize to have agreement on the bandsplot input specification https://docs.google.com/document/d/1pM93cMeU1U8A6btzE4O9T7WLwIMJNRZa7N3n2QJlkTM/edit. @Dou @Carlo

Mouyi:
 - Talked with Lorenzo about Raman calculations. Understand the procedure of the Raman calculation. Will try to combine Raman calculation in the future. 
 - Proposed a method to combine environ and Raman calculation with Lorenzo. 

Dou:
 - Working on the "widget-bandsplot" (thank Jusong for perparing the json files)
 - Mutiple CUPs for q-e app is not working on my laptop.


