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Merged
atravitz merged 1 commit into from
Oct 7, 2025
Merged

add comment to explain gufe pin in env yamls #1553

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1 change: 1 addition & 0 deletions docs/environment.yaml
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Expand Up @@ -25,6 +25,7 @@ dependencies:
- threadpoolctl == 3.6.0
- tqdm == 4.67.1
- pip:
# pin gufe to pre-pydanticv2 commit until openfe's pydantic v2 migration is complete
- git+https://github.com/OpenFreeEnergy/gufe@0e4d69a137c750136b3b2473bf6da9a34c28cb60
- git+https://github.com/OpenFreeEnergy/ofe-sphinx-theme@v0.3.0
# pip install these so that conda-forge gufe doesn't pull in ambertools and cause a memory error
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1 change: 1 addition & 0 deletions environment.yml
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Expand Up @@ -51,4 +51,5 @@ dependencies:
# Control blas/openmp threads
- threadpoolctl
- pip:
# pin gufe to pre-pydanticv2 commit until openfe's pydantic v2 migration is complete
- git+https://github.com/OpenFreeEnergy/gufe@0e4d69a137c750136b3b2473bf6da9a34c28cb60
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