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Merge remote-tracking branch 'upstream/main' into pre-commit-ci-updat…
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…e-config
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mattwthompson committed Oct 19, 2023
2 parents 73e1067 + 3673ada commit f8bd85d
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4 changes: 2 additions & 2 deletions devtools/conda-envs/no_openeye.yaml
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Expand Up @@ -22,7 +22,7 @@ dependencies:
- rdkit >=22
- ambertools >=22
- openff-utilities
- openff-toolkit-base >=0.11,<0.14
- openff-toolkit-base >=0.11
- openff-forcefields
- openff-interchange
- openff-qcsubmit
Expand All @@ -33,7 +33,7 @@ dependencies:
- importlib_metadata >=4

# Optional
- forcebalance
- forcebalance >=1.9.6
- openff-fragmenter-base
- xtb-python

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4 changes: 2 additions & 2 deletions devtools/conda-envs/test-env.yaml
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Expand Up @@ -22,7 +22,7 @@ dependencies:
- click-option-group
- rdkit
- openff-utilities
- openff-toolkit-base >=0.11,<0.14
- openff-toolkit-base >=0.11
- openff-forcefields
- openff-interchange
- openff-units
Expand All @@ -34,7 +34,7 @@ dependencies:
- importlib_metadata >=4

# Optional
- forcebalance
- forcebalance >=1.9.6
- openff-fragmenter-base
- xtb-python
- openeye-toolkits
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4 changes: 4 additions & 0 deletions docs/releasehistory.md
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Expand Up @@ -9,6 +9,10 @@ Releases follow the ``major.minor.micro`` scheme recommended by

<!-- ## Since last release -->

### Bug Fixes
* [#286] - Update for behavior/API changes in ForceBalance 1.9.6 and OFF Tookit 0.14.4.


<!-- ## Version / Date DD-MM-YYYY -->

## 0.2.2 / 08-05-2023
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