AiiDAlab Meeting 2022-04-05
===

###### tags: `Meeting`

:::info
- **Location:** https://epfl.zoom.us/j/65206247396 *(Please request password on slack)*
- **Date:** Apr 05, 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)
- Sasha [Empa] (ay)
- Marnik [EPFL] (mb)
- Jason [EPFL] (jy)
- Dou [EPFL] (dd)
- Mouyi [EPFL] (mw)

- **Host:** csa
- **Reference:** - [Last week meeting minute](https://hackmd.io/uOalAeogRwuCxXBXVVsaxA)

:::

:ballot_box_with_check: Tasks
--

- (csa) Create project for revised service architecture.

:spiral_note_pad: Notes
--

- Simon
- Met with represenatives from Microsoft to discuss potential collaboration to deploy AiiDAlab on Azure.
- Looked into alternatives for Docker+ansible: buildah + podman?
- https://buildah.io/
- https://podman.io/
- https://podman.io/blogs/2018/10/31/podman-buildah-relationship.html
- Poster accepted at SciPy 2022.

- Marnik
- https://github.com/aiidalab/aiidalab-qe/pull/206 is finally ready! Thanks to Jason for temporarily fixing the pre-commit issue.
- Will do AiiDAlab demo at my alma mater in Antwerp in May.
- Nothing else to report, other projects have priority.

- Jason:
- qe-app example structure https://github.com/aiidalab/aiidalab-qe/pull/215
- What is `the povray rendered ignores the supercell settings.` issue? https://github.com/aiidalab/aiidalab-qe/issues/127
- Any update for two-dimensional seekpath? -> Gabril?
- Next month: ph.x for phonons dispersion.

- Mouyi
- finally set the environment right on the workstation
- run a quantum espresso calculation using AiiDA
- next step is to try to use Environ on AiiDA

- Sasha
- Investigated how to decompose the fat Docker image into smaller ones. See my findings below:
- When to use "The Littlest JupyterHub" or Kubernetes-based Z2JH: https://tljh.jupyter.org/en/latest/topic/whentouse.html
- Testing notebooks: https://testbook.readthedocs.io/en/latest/getting-started/index.html
- Create a custom spawner: https://jupyterhub.readthedocs.io/en/stable/reference/spawners.html#writing-a-custom-spawner
- JupyterHub services: https://jupyterhub.readthedocs.io/en/stable/reference/services.html
- Chris Holdgraf's reply about suggested way to handle containerised JH setup: https://github.com/chrisjsewell/aiida-docker-compose/issues/1#issuecomment-634796251
- (Simon) suggest to use kubespwaner that is able to run multiple containers in one pod: https://github.com/jupyterhub/kubespawner
- Possible way to go: rely on kubernetes

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