Sebastiaan Huber

PR #5862 added a workaround but ideally we figure out why the command name changes on certain systems and if possible find a more robust check that doesn't suffer from...

Fully agree that changing this would be tricky with regards to whether it will break behavior. But first I would like to establish if the majority think this _should_ be...

Postponed to `v2.0.0` because the changes would be too big so short before `v1.0.0` release

> Hmm, I think @sphuber once raised a reason to restart from scratch, but I'm not sure anymore why. I would tentatively at least be in favor of using the...

I would be all for this. There are multiple open issues related to the usability of the `KpointsData` class and these discussion have typically led to the conclusion that it...

> Not sure if that's ever been tried, and probably not desirable because that would immediately store the nodes. This is definitely possible. You can generate `calcfunctions` dynamically and run...

Useful and detailed information on this subject by @giovannipizzi in another thread: https://github.com/aiidateam/aiida-core/issues/4841#issuecomment-830866937 https://github.com/aiidateam/aiida-core/issues/4841#issuecomment-830867591 Pasted below ------- There's quite some discussion and debugging on GIN indexes on #4664 done by...

Suggestion for the constructor to not only allow constructing it from file, but also by passing manually the attributes that define it: ``` class CubeData(Data): @classmethod def from_file(cls, filepath): #...

Hi Holger, if you want you can already store a cube file. The most simple and probably most logical choice is the `SinglefileData` class. For example: ```python from aiida.orm import...

> The fact that local_copy_list copies the contents of a directory instead of the directory itself seems somewhat strange _If and only if_ the target directory already exists right? Otherwise...