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aiidateam / aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.
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Improve: replace put_your_username with {username} template. #50

Closed yakutovicha closed 2 years ago

mbercx commented 2 years ago

Thanks @yakutovicha. Does this sort of templating actually work in the configuration file? I just tried and the computer test failed. Or is this just because it looks cleaner than put_your_username? ^^

yakutovicha commented 2 years ago

Thanks @yakutovicha. Does this sort of templating actually work in the configuration file? I just tried and the computer test failed. Or is this just because it looks cleaner than put_your_username? ^^

Here I am trying to move from something that cannot be templated to something that can be (at least) in the AiiDAlab app.

yakutovicha commented 2 years ago

We can also agree on applying jinja2-like templating here. That is also an option.

mbercx commented 2 years ago

We can also agree on applying jinja2-like templating here. That is also an option.

Hmm, not sure what's best here. On the one hand the current suggested notation is consistent with the templating we use in the setup YAML files. On the other hand that might confuse some users (😙) that this will work directly with verdi computer configure. If you plan to use jinja, I'd switch to that notation. If not, feel free to merge as is.