AiiDAlab Meeting 2022-06-07 === ###### tags: `Meeting` :::info - **Location:** https://epfl.zoom.us/j/65206247396 *(Please request password on slack)* - **Date:** Jun 07, 2022 11h (CET) - **Agenda** 1. General Updates `10 min` 1. Roadmap discussions `15 min` 1. Tasks and next steps`5 min` 1. AiiDAlab QE app (environ version) demo - **Participants:** - Simon [EPFL] (csa) - Jason [EPFL] (jy) - Mouyi [EPFL] (mw) - Dou [EPFL] (dd) - Giovanni [EPFL] (gp) - Sasha [Empa] (ay) - Xing - Carlo [Empa] - Marnik [EPFL] (mb) - **Host:** csa - **Reference:** - [Last week meeting minute](/s/bbpNIolZQuS6HdTvvPuAbg) ::: :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. - [x] (ay) Get access to use Azure deployment. - [x] (ay) Learn how to use Azure deployment. - [ ] (mb) Learn how to use Azure deployment. - [ ] (ay) Revise docker (aiidalab-launch) approach to launch additional services in separate container. - [x] (jy) Complete PR [#310](https://github.com/aiidalab/aiidalab-widgets-base/pull/310). - [ ] (dd) Finalize the widget-bandsplot. - [x] (csa) Have the [aiidalab-on-azure template](https://github.com/aiidalab/aiidalab-on-azure) tested by at least one other developer. - [ ] (csa) Finalize the [aiidalab-on-azure template](https://github.com/aiidalab/aiidalab-on-azure). - [ ] (csa) On-board Xing and Jason to Azure. - [ ] (ay) Inquire with CSCS about the performance of the storage. :spiral_note_pad: Notes -- Simon: - Revised the aiidalab-on-azure template to use copier instead of cookiecutter for instantiating project repositories from the template. - copier appears to be slightly better maintained. - copier can be better configured and can perform migrations. - On-boarded Sasha to to Azure. - Sasha tested the aiidalab-on-azure template. There are still a few minor issues that I will resolve this week. Jason: - PRs to optimade-client library which is under Casper account. - Have a meeting with Dou this morning about how to decouple js library from bandsplot and how to make progress on band structure features/issues. - Set a live aiidalab-qe test with Nicola on June 24th 14:00. - Working on refactoring the SsspApp inspect tool. I can demo it a bit for quick feedbacks. Sasha: - Continued to work on docker-compose approach: - Had to keep AiiDAlab and AiiDA in one docker image. - Didn't manage to access ipykernel that runs in a separate docker container. Tested [ssh-ipykernel](https://pypi.org/project/ssh-ipykernel/). All the other tools seem to be pretty abandoned. - Based the image on the official [jupyter/base-notebook image](https://jupyter-docker-stacks.readthedocs.io/en/latest/using/selecting.html#jupyter-base-notebook). - Tested on AiiDAlab deployement on Azure with Simon. I gave some comments on the setup and on clearness of the readme. - @jusongyu, let's finalise [#38](https://github.com/aiidateam/aiida-prerequisites/pull/38). The phusion image has been released. Mouyi: - find a problem with 'Prepend text' on environ-code. This problem seems prevent the code excute. This is a little bit confusing. - Trying to find which code conotrols the output display. It is around WorkChainOutputs and SummaryView Dou: - Have a meeting with Jusong and Taylor to have a clear plan for the "widget-bandsplot" 1. Finalize the DOS part (2 weeks) 2. Finalize the bandstructure part (2 weeks) 3. publish the npm package and use the npm pakcage for the widget and utlise it for apps (1 week) Make some tests of the prehead feature in Voila for the quantum mechanics app, which is suggested by Jusong. Marnik: - Nothing to report from the East side! Xing: - say hi to everyone Open issues (reported by Carlo): - The performance of the CSCS instance is very bad. - AiiDAlab applications remain open even after closing the window on clients with bad internet connection. - We need to get more involved with the atmospheric sciences community. - Needed application: Tunneling Electron Microscopy (TEM) - Marnik: There would be some interest in this at the University of Antwerpen. Project suggestions by Giovanni: - Better coordinate the widget development. - Simon: - My suggestion: in general, most widgets should be developed for a specific application and only then incorporated into the widgets base library. - We should make a better effort at discussing application (and widget) development as part of the weekly AiiDAlab meeting. User on-boarding: - Sasha: - We need to improve our learning material / documentation on on-boarding specific tools. - This came up with during a discussion with the head of Empa nanotech@surfaces. When showing the results at conferences they get a lot of attention. We need to make sure there is a link that allows users to quiclkly start using those applications. - The suggestion is to have some per-app learning material that doesn't talk about the setup (like setting up codes, computers) but teaches users what can they do if the setup has already been done. Sort of task-oriented learning material. - A possible platform for that is [swissmooc](https://www.swissmooc.ch/), but it doesn't seem to be well maintained one: - I couldn't login with my SWITCH account to this course: https://www.swissmooc.ch/courses/choicemodels/ - Performance issues: - Jason: - Experienced performance issues even on local workstation in combination with aiidalab-launch. - Typically mitigated by a full restart.