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SwissDataScienceCenter / contributed-project-templates

A repository of community-developed project templates.
Apache License 2.0
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Add aiida template #1

Closed ltalirz closed 3 years ago

ltalirz commented 3 years ago

The first commit is the python-minimal template; the second commit changes for the AiiDA environment

ltalirz commented 3 years ago

@rokroskar I believe I've copied over everything from my local repo that is necessary - is there a way to check?

rokroskar commented 3 years ago

This is great @ltalirz, thanks! you can test it by creating a new project on renkulab by selecting "custom" for the template and adding the repo URL + ref for your branch:

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One thing this repo is currently still missing is a manifest file - could you add one (I forgot to do it on repo init...) - it should look like this one. The docs explain what should go in there: https://renku.readthedocs.io/en/0.7.1/user/templates.html#manifest-yaml

ltalirz commented 3 years ago

thanks @rokroskar - I've added the manifest.yaml but for some reason I get an "internal error" when clicking on "Create project" - any ideas?

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Perhaps I should also mention that I randomly get errors when opening https://renkulab.io/projects/new , e.g. see below

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rokroskar commented 3 years ago

Oh I think this might be a bug because archive-url is taken to be the parameter name and it cannot have a dash - I'll make an issue for that. I forked your branch and made a change on top that fixes that and uses the __sanitized_project_name__ to have the correct paths inserted. See https://renkulab.io/projects/rok.roskar/test-aiida-templates-again

rokroskar commented 3 years ago

(the other intermittent internal error is a known bug that will be fixed hopefully in the next 24 hours)

ltalirz commented 3 years ago

Ok, no problem (and thanks for investigating) - I've replaced it with archive_url. Let me know in case you would like me to make any further changes

I'm sure one we'll still want to make improvements here and there (improvements to the README etc.) but the basics should be there.

I guess the idea would be that the link from the Materials Cloud Archive would be able to pre-populate the value of the archive_url?

ltalirz commented 3 years ago

rebased into 3 commits