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Add pyyaml to requirements.
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lohedges committed Jan 11, 2024
1 parent a5b6b9c commit b11ddb4
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1 change: 1 addition & 0 deletions environment.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ dependencies:
- pybind11
- pytorch
- python < 3.11
- pyyaml
- torchani
- xtb-python
- pip:
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1 change: 1 addition & 0 deletions environment_sire.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,7 @@ dependencies:
- pybind11
- pytorch
- python < 3.11
- pyyaml
- sire
- torchani
- xtb-python
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