Daniel Hollas
Daniel Hollas
> You could in principle use kwargs for your use case. You just have to create a dictionary with arbitrary keys as an input for your StructureData Oh cool! I...
I'd also say that calcfunctions, workfunctions are so much more lightweight than CalcJobs / WorkChains, so making them as useful and as painless to use is a goal worth pursuing.
@gnikit @awvwgk I've merged in latest master. Would you mind approving the GHA workflow run? Thanks!
Yeah, indeed running with verbose prints this: ``` uv_interpreter::python_query::find_default_python 0.004003s 0ms DEBUG uv_interpreter::python_query Starting interpreter discovery for default Python 0.004109s 0ms DEBUG uv_interpreter::interpreter Probing interpreter info for: /opt/hostedtoolcache/Python/3.10.13/x64/bin/python3 0.039094s 35ms...
So, I love the new more concise verbose output (-v), however, I will still lobby for `uv` to print the install location by default. :blush: As previous commenter pointed out,...
To clarify, pip supports installing to `~/.local` via the `--user` option. As mentioned above, this option is automatically a fallback when the system python install is not writeable. My guess...
> I would like some packages like pre-commit to be installed globally on the system so that so that I do not have to source an environment everytime I commit...
> Virtual environments are a useful tool if you're a professional developer, but for a lot of folks just doing ad hoc personal scripting, they're more complexity than is needed,...
@sphuber just wondering, have you checked how this affects performance? Does it influences `import aiida.orm` at all?
Yeah, I realized late last night the hash recalculation will make things tricky :-( Just thinking, doesn't this also apply to the current design that stores aiida and plugin versions...