Comments (3)
HubLot
commented on June 27, 2024
For the unit testing, I implemented a proof of concept here (https://github.com/HubLot/buildH/tree/testing) with the GitHub actions.
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patrickfuchs
commented on June 27, 2024
The tests are globally finished 😄 ! The packaging is ongoing and not far from finished. I added one item (documentation), I try to go forward on this and make a notebook example.
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patrickfuchs
commented on June 27, 2024
We decided not to go on for multithreading for now.
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Related Issues (20)
- Test: new release and automatic package deployment HOT 11
- Update documentation regarding -v option
- Automate archiving in Software Heritage upon release
- Update MDAnalysis to 1.1.1 HOT 10
- Restrict BuildH for Python >= 3.6 and <= 3.8 HOT 3
- Doc no longer compiles
- [Request] Add documentation for building from source with minimal dependencies HOT 4
- Fixing box dimensions and trajectory output with Hs HOT 4
- Which three things? (docs) HOT 2
- Contributing credit? HOT 2
- Which OSs are supported? HOT 3
- Minor wording or grammar nitpicks with paper HOT 2
- Improvements on API documentation HOT 2
- Python versions and dependencies. HOT 3
- Test and update to MDAnalysis 2.0.0 HOT 7
- Update swh link to the new version 1.6.0
- CH3 groups HOT 8
- Beta hydrogens in PS HOT 2
- Missing carbon atoms HOT 5
- Latex formulas are not rendered correctly on readthedoc HOT 3
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