AiiDAlab Meeting 2022-05-10
===

###### tags: `Meeting`

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

- **Participants:**
- Simon [EPFL] (csa)
- Jason [EPFL] (jy)
- Mouyi [EPFL] (mw)
- Dou [EPFL] (dd)
- Giovanni [EPFL] (gp)

- **Host:** csa
- **Reference:** - [Last week meeting minute](/s/template-meeting-note)

:::

:ballot_box_with_check: Tasks
--

- [ ] (mb) Put initial version of `aiida-quantumespresso-ph` on GitHub.
- [ ] (mw) Have a look at the `aiida-environ` plugin and QE-independent environ code.
- [ ] (ay) Make PR to QE app to update AWB dependency.
- [ ] (jy) Send email to THEOS group once AWB is released and QE app dependency is updated.
- [ ] (mb/csa) Once Azure subcription is activated, look into adapting the Terraform template.
- [ ] (mw) Try to write the AiiDAlab app for the solvent model(Environ, https://aiidateam.github.io/aiida-registry/plugins/aiida-environ.html)
- [ ] (jy) Create/identify issues for Taylor get started on.
- [ ] (mb) Create issues on bandsplot widget for the API, visualization of multiple structures, and spin states.
- [ ] (csa) Bundle AiiDA services with docker deployment.

:spiral_note_pad: Notes
--

Simon:
- (*in progress*) Creating terraform template for Azure
- [x] Setup Kubernetes cluster with distinct node pools
- [x] Deploy JupyterHub
- [ ] Deploy JupyterHub with AiiDAlab configuration
- [ ] Deploy with GitHub authenticator
- [ ] Deploy with custom (aiidalab.net) sub-domain

Jason:
- ABW 1.3.3 and qe-app 2022.05.0 are released. We need set this one as `stable` version. (Two urls in https://github.com/aiidalab/aiidalab-registry/blob/master/apps.yaml ?)
- MARVEL phase 2 just end, so we don't have `mr0` for test. I added `imxsrv1.epfl.ch` to `aiida-code-registry`.
- `mr0` is back until end of June. I can give access to the new project for phase 3.
- Go through the 2022.06 milestone.

Mouyi:
- add a solvent type part in the qe-app
- use the builder from aiida-environ to submit process
- have a problem with node.inputs.structure
- need to work with the code installation part
<!-- Other important details discussed during the meeting can be entered here. -->

Dou:
- Plan for the improvement of widget-bandsplot https://github.com/osscar-org/widget-bandsplot/issues/8


- Discuss about the input file format (json files), potential also usefull for other tasks (not only for AiiDAlab)

Gio: agreement with all the API for the widget make a docs about the format, make easier for the users

Giovanni:
- Users might still be interested in having a one-click button to start AiiDAlab in a VM (as opposed as k8s). After k8s is in place, I suggest investigating also this option.