AiiDAlab Meeting 2022-05-03

AiiDAlab Meeting 2022-05-03 === ###### tags: `Meeting` :::info - **Location:** https://epfl.zoom.us/j/65206247396 *(Please request password on slack)* - **Date:** Mar 22, 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) - Giovanni [EPFL] (gp) - Marnik [EPFL] (mb) - Jason [EPFL] (jy) - Dou [EPFL] (dd) - Mouyi [EPFL] (mw) - Taylor [EPFL] (t) - **Host:** csa - **Reference:** - [Last week meeting minute](https://hackmd.io/3cQJ8THAQX2x15Sk3upM4Q) ::: :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: - Activated the Azure subscription. - Resolved issue [ADS #244](https://github.com/aiidalab/aiidalab-docker-stack/issues/244) -- Start JLab by default. - Reviewed and discussed [AWB #366](https://github.com/aiidalab/aiidalab-widgets-base/pull/306) Jason: - Nothing important to report. Sasha: - Worked on the `ComputationalResourcesDatabaseWidget`: - Discussed the interface with Simon. - Implemented the discussed the interface in the [#306](https://github.com/aiidalab/aiidalab-widgets-base/pull/306) Mouyi: - read the codes of aiidalab-qe and try to add a part for environ(solvent model) Marnik: - Opened issue [#8](https://github.com/osscar-org/widget-bandsplot/issues/8) on `widget-bandsplot` regarding plotting of spin-polarised results. - Found issue when trying to start `aiidalab-launch`: [#121](https://github.com/aiidalab/aiidalab-launch/issues/121)