aiida-mlip plugin

[federicazanca]

aiida-mlip plugin
machine learning interatomic potentials aiida plugin

[github-actions]

PR Preview Action v1.4.7
🚀 Deployed preview to https://aiidateam.github.io/aiida-registry/pr-preview/pr-304/
on branch gh-pages at 2024-05-22 21:09 UTC

[ltalirz]

Hey @federicazanca , thanks for adding aiida-mlip to the registry!

I noticed in the docs preview a few suggestions, could you have a look? https://aiidateam.github.io/aiida-registry/pr-preview/pr-304/

[ltalirz]

hey @unkcpz , when you have time, would you be able to have a look at why this is failing?
it seems like there is an authentication problem (seems unrelated to this pull request)

[unkcpz]

Sure! I'll check it.

[unkcpz]

Hi @federicazanca, I disable the preview action in dev-CI, the failed one is duplicate as the the preview from plugin-CI and only should be run for PR from aiidateam/aiida-registry. Can you update the PR (I guess you can see the "Update Branch" button? I cannot since the PR is from your repo, I assume.) Then all tests should pass.

[unkcpz]

Thanks @federicazanca!
Although all tests passed, the installation test is not running since you didn't specify the pip_url and the development status classifier is set to "alpha" (https://github.com/stfc/aiida-mlip/blob/18695f7793d99b5dd632bfa8d4a60057ffc64930/pyproject.toml#L18C6-L18C24)

I notice you already had the package published on pypi so I proposed the change to test installation, if everything goes fine you can see the plugin port details in the detail page.

Please also remember to update the development status in the pyproject.toml file of aiida-mlip to beta or higher once you think it is ready.

[unkcpz]

Thanks! @federicazanca

[federicazanca]

thank you and I'll keep it updated, still working on some main features