Thanks @Xing, it is super nice you started using it and provided your experience on how to use the images.
Per @giovannipizzi suggestion, I was planning to convert Building Docker Image with Pre-configured AiiDA Computer? - #3 by jusong.yu to a blog. But I think you are right, using and developing inside the container deserves a dedicated blog as well.
Although we have some users who started using it, but we have not yet advertised it. Still, some minor things need to be settled such as how to backup the data.
@Xing’s post is using AiiDAlab image, now there are aiida-core-with-services images for aiida-core specifically. It includes some developer’s optimization configure such as preinstalled plocate (it is in the aiidalab image as well but not in the base conda environment, another way to get pgtest for pytest in the AiiDAlab container is to run conda activate aiida-core-services).
Just use this post to list things need to do to make the images more accessible and useful.
- Polish the documentation: Run AiiDA via a Docker image — AiiDA 2.4.0.post0 documentation and adding section on the recommended way to backup the data or entire container.
- A tutorial-like blog includes videos on how to easily get docker running from docker desktop and user stories as @Xing’s post.
- From my side, I want to also push to developing inside container with using vscode, which brings a lot of convenience like no need to further set up GitHub credentials.