Tiziano Müller

ok, but wouldn't it be better to make a project or milestone and create specific resolvable issues instead?

@alazzaro we now have projects :) do you mind creating separate issues for the different documentation issues and link them there?

@mjclarke94 semi related to this as processes should not become unreachable, but are you using the `proxy_command` configuration (to have a jumphost)?

The `selenium` branch of @bdkech works :) ... also needed a tweak of the shebang, and I had to enable `headless` mode since I am running this on a remote...

`builder.file` is a port namespace. What this means is that the input has to be a `dict`, where the keys are strings of the form `[a-zA-Z0-9_]` (if I remember correctly)...

well, the `build.file` is a general endpoint, it only tells `aiida-cp2k` to upload the files, but it can't infer what you want to do with them, so you have to...

I tend to agree here: whenever we can let CP2K write a (more or less) standardized file format we should do that and use a parser for the specific file....

@yakutovicha what do you think?

Thanks for the review. > The only thing that I would like to change is the workflow submission part. Currently, you added there a cp2k input parsing, which (I believe)...

> > Just to make sure I understand it, you mean that the user will do a 2-step process? > > Yes. I also wanted to suggest parsing different objects...