AiiDAlab Meeting 2022-05-31 === ###### tags: `Meeting` :::info - **Location:** https://epfl.zoom.us/j/65206247396 *(Please request password on slack)* - **Date:** May 31, 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) - Mouyi [EPFL] (mw) - Dou [EPFL] (dd) - Sasha [Empa] (ay) - Marnik [EPFL] (mb) - **Host:** csa - **Reference:** - [Last week meeting minute](/s/PnbYAak-RaSAJhTPUq5T0g) ::: :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/ay) Get access / learn how to use Azure deployment. - [ ] (ay) Revise docker (aiidalab-launch) approach to launch additional services in separate container. - [ ] (jy) Complete PR [#310](https://github.com/aiidalab/aiidalab-widgets-base/pull/310). - [ ] (dd) Finalize the widget-bandsplot. - [ ] (csa) Finalize the [aiidalab-on-azure template](https://github.com/aiidalab/aiidalab-on-azure) and have it tested by at least one other developer. :spiral_note_pad: Notes -- Simon: - *Mostly absent due to long weekend.* - Working on [aiidalab-qe #237](https://github.com/aiidalab/aiidalab-qe/issues/237). Sasha: - Mostly worked on the docker compose approach. Some notes see below. - Have first working aiida-core version build with AiiDA 1.6.8. - I had to revise the AiiDA Docker file in order to make it work with Docker compose. - Need to work harder in order to reduce the image size (currently, ~2.5 GB). - I guess one stills need to have postresql installed on the aiida-core image, otherwise not able to connect to a remote database. For rabbitMQ is not needed. - ***[correction]*** Looks like I was wrong. I managed to connect to a remote PSQL container without PSQL being installed in the AiiDA-core container. - Working on the use of python kernel in a separate container. Here is an example how this could be done https://github.com/tamera-lanham/ipython-kernel-docker Mouyi: - upload the draft of aiidalab_environ on github with the url https://github.com/wengmouyi/aiidalab_environ_draft - Solved the problem last week about code input_plugin="environ.pw " with the help of Jason. We may need to setup code before use this plugin. Marnik: - Was in Belgium for presentation on AiiDA/AiiDAlab two weeks ago. One note on the setup: Quantum ESPRESSO is only installed when the QE app is opened, so for tutorials this might be an issue since they need to have QE installed for running the material. - Last week holiday, so not much to report. - Simon: Azure server shut down? :+1: - Next two weeks holiday, then week of conference. I am basically AWOL the whole month of June. Dou: - I am going to coordinate with Marnik and Jason for the finalization of the "widget-bandsplot".