Comments (2)
@mikemhenry have you also deleted your generated/
directory? make clean doesn't do that
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Gah this is the second time I've been tripped up by this (I think last time the word "generated" was in the warning which was a good hint), sorry for the noise
from openfe.
Related Issues (20)
- Prepare release announcement for social media HOT 1
- Frequent "Should have \sum_n W_nk = 1" errors in analysis HOT 4
- Add a warning/note in the setup that protein inputs may need to be equilibrated before running RBFE? HOT 1
- Get macos-12+, including osx-arm64 (i.e. macos-latest) runners working in CI HOT 1
- [docs] Showcase notebook failing to render HOT 2
- Unpin rdkit on mypy HOT 3
- Run through tutorial using 1.0 release HOT 3
- mark gaff tests as xfail HOT 1
- [docs] find new home for `OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb` example
- Using customized force field for small molecules HOT 8
- raise a warning if a user supplies an unsupported key in a settings yaml
- CalledProcessError: 9 HOT 2
- Fix OpenFE tests to match main on Lomap
- Validate OpenFE working on latest of our key tools
- Add rever instructions to release instructions in the wiki
- Add install instructions for the conda lock files
- Issue with PyMBAR4
- Using OPC water models for RBFE calculations HOT 3
- Using other versions of small ligand ff (GAFF) instead of the default one HOT 1
- [CLI] inspect command for json output files
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