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Update lammps class #426
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Update lammps class #426
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orbeckst
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The content of the PR is good ✅
The failing tests would need to be addressed:
I don't know how the snapshots are handled (is this documented somewhere?) but something is failing and would need to be fixed, see https://github.com/MDAnalysis/UserGuide/actions/runs/14936015006/job/41963506015?pr=426 . @lilyminium @RMeli do you know?
The formatting should be
from MDAnalysisTests.topology.test_lammpsdata import (
LammpsBase,
TestDumpParserFull,
)
says the pre-commit hook check.
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It would be good to get this merged so that we can move any of the other PRs along. |
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Sorry, I was OOO. The snapshots might need to be re-generated. I don't recall where this is documented, I'll have a look. |
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Thank you @RMeli !!! |
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For a release I used the following instructions: https://userguide.mdanalysis.org/stable/preparing_releases_and_hotfixes.html#create-a-release-of-the-userguide. The section contains instructions on how to generate the snapshots: |
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Thank you @lilyminium and @RMeli !!! |
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Apologies, I've also been away on travel and GRC -- thanks so much for fixing this Oliver and Rocco! |
Fixes #425
📚 Documentation preview 📚: https://mdanalysisuserguide--426.org.readthedocs.build/en/426/