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aiidateam / aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.
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entry point compatible with aiida v2 data type name #64

Closed unkcpz closed 2 years ago

unkcpz commented 2 years ago

Hi @yakutovicha, can you have a look at the changes? I think the variables name I added is not very good and the way to combine the string seems nasty 🤨.

unkcpz commented 2 years ago

@yakutovicha thanks! changed.

unkcpz commented 2 years ago

Hi @yakutovicha, I just found this is not enough for the aiidalab-widget-base. Since from 2.x the computer setup also require setting use_double_quote (for this one we can delicately set it to False) and default_memory_per_machine (for this I think need to be specifically set for every computer.) One way is to set these parameters for all config yaml files and let 1.x ignore them.

yakutovicha commented 2 years ago

One way is to set these parameters for all config yaml files and let 1.x ignore them.

sure can you make a PR for this?