###### tags: `team meetings` ###### time: 11:30am CET [TOC] ### Present * Chris * Marnik * Francisco * Giovanni * Miki * Xing * Edan * Kristjan * Ahmed (GSoC student) * Danial * Louis * Sebastiaan ### Link for reference - Coding week task list: https://hackmd.io/Hg2nbnUmSfinIx4WagjJfw - Notes of Discussion: - AiiDA light: https://hackmd.io/AnksdE7xTsqEhHe_trPA-A - Project/environment management: https://hackmd.io/iKvT4GrJSgCoYOwjZIDJkg - The setup hurdles: https://hackmd.io/BcwQpSAZQpiMYdmL7FJ-TQ ### Catch-up round *Max. 3 minutes each* Jason: * [#6072](https://github.com/aiidateam/aiida-core/pull/6072): New docker image based on pure ubuntu and gracefully handle services * Start using AiiDA by one command: `docker run docker run -it aiidateam/aiida-core bash` (after merge and released) * (TODO) Integrate to codespace by .devcontainer for both `aiida-core` and for plugin development through cookiecutter. * (In progress) update the documentation. * (In progress) update CI action. * Check https://hackmd.io/AnksdE7xTsqEhHe_trPA-A for further discussion on the design. * New code registry with template supporting. * Using new repo `code-registry` (can be `aiidateam/code-registry`) as test, and for AiiDAlab first. * (GSoC) Merge Ahmed's [PR #244](https://github.com/aiidateam/aiida-registry/pull/244) on `aiida-registry` * 🤣 ~~He made a beatiful mistake to deploy the new React site to https://aiidateam.github.io/aiida-registry/. I can barely tell it is the new one.~~ * See Ahmed's notes below for more details. Ahmed: * [#244](https://github.com/aiidateam/aiida-registry/pull/244): The new react version of `aiida-registry` PR is merged. * [#239](https://github.com/aiidateam/aiida-registry/pull/239): Extracted the entry points data. * I made some experiments to display the entry points data locally. * (TODO) When [#239](https://github.com/aiidateam/aiida-registry/pull/239) got merged, I'll open a PR to display the entry points information on the web page. Giovanni: * A number of new functionalities are ready in disk-objectstore (either merged or under review). I'm just planning to do a few more backward-incompatible changes (move to pathlib, possibly replacing dicts with DataClasses). Then there is a bit of work to be done to adapt AiiDA. Not sure if I manage today or next week, though :-( I'll try anyway to open a draft PR, so we don't forget * backup script: I suggest that we conclude the work on the script (as a verdi command) that Kristjan is doing. We can then decide if the disk-objectstore part should be moved directly to disk-objectstor (probably yes in principle, we just need to see if this requires too much code duplication to check and avoid concurrent usage etc.) Francisco: * Quicksetup now has an extra option to use an existing database instead of trying to create it by itself: [PR 6073](https://github.com/aiidateam/aiida-core/pull/6073) Xing: * AiiDA-light ([PR](https://github.com/aiidateam/aiida-core/pull/6070)). provides the services-free option for using AiiDA. This will create a temporary profile to use the in-memory sqlite and no rabbitmq. * Discuss with Chris about and learn the backend of AiiDA core. * [In prepare] 5-mins`Quick Start` using the `tempporary` profile * AiiDA Backup * Learn `disk-objectstore`. * Think about a `GeneralData` type, which use `pickle` (`dill` or `cloudpickle`) to store a Python data into repository. * Giovanni: I discourage this. People trying to get the data with a different python version will fail as pickle is NOT intended for tranfering data or long-term storage. heck instead our JsonableData? https://github.com/aiidateam/aiida-core/pull/5017 Miki: * Docs: updated docs for new features (daemon and processes API, and other very small things) - TODO: PR * aiida-atomistic / new StructureData: created new `aiida-atomistic` package (TODO: upload in github) and started the implementation of the new extended class. see [here](https://hackmd.io/iyxunXOLRWW9cazkql-iww?view) for details (section "results") Kristjan: * PR to back up AiiDA profiles: [#6069](https://github.com/aiidateam/aiida-core/pull/6069) * initial idea: bash script * now working on: verdi storage backup * basic tests of https://github.com/aiidateam/aiida-restapi on Materials Cloud ### Special aganda items and conclusions AiiDA Discouse feedback: * Can it survive? * See detail of site management: https://aiida.discourse.group/admin * Do we upgrade to standard mode, (100 USD/month with self defined domain name and 5G -> 20G storage). * Do we replace Google mailing list with Discourse? * Y (Jason, Kristjan, Sebastiaan) * N () * Do we replace Slack with Discourse? * Y (Sebastiaan) * N (Jason, Kristjan) * Feedback and how we should improve? * if (deprecate mailing list) Moving old mailing list discussion to Discourse. HOW? WHO? Do we need agreement from aiidauser mailing list users? * Kristjan: If we don't replace slack with Discourse chat, it might make sense to disable the discourse chat altogether How to test our effort this week? Is usability really improved? * Can we bring everything to the next virtual AiiDA tutorial? * Can new users easily cross the hurdle to start using AiiDA? Team responsibility: * https://hackmd.io/hYaz4oXyTfWDUWKIKc0HUg