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Merged
orbeckst merged 6 commits into from
Jan 23, 2026
Merged

Update pandas >=2.2 #452

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af890d2
Update pandas >=2.2
xiki-tempula Jan 23, 2026
1c2cc84
Update CHANGES
xiki-tempula Jan 23, 2026
4db7af4
Update CHANGES
xiki-tempula Jan 23, 2026
19a5a8c
Update test_env.yaml
xiki-tempula Jan 23, 2026
33f5960
Merge branch 'master' into xiki-tempula-patch-1
xiki-tempula Jan 23, 2026
95eb44f
Update environment.yml
xiki-tempula Jan 23, 2026
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2 changes: 2 additions & 0 deletions CHANGES
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Expand Up @@ -12,6 +12,7 @@ The rules for this file:
* accompany each entry with github issue/PR number (Issue #xyz)
* release numbers follow "Semantic Versioning" https://semver.org


??/??/2026 jaclark5, jhenin, xiki-tempula

* 2.6.0
Expand All @@ -20,6 +21,7 @@ Fixes
- Fix pandas warning (Issue #428, PR #429)

Enhancements
- Update pandas>=2.2 (Issue #413, PR #452)
- Add flag to ignore NAMD's equilibration in NAMD parser
- Accept NAMD data with 0 equilibration steps
- Add support for LAMMPS FEP files (Issue #349, PR #348)
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2 changes: 1 addition & 1 deletion devtools/conda-envs/test_env.yaml
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Expand Up @@ -4,7 +4,7 @@ channels:
dependencies:
- python
- numpy!=2.3.0,!=2.3.1,!=2.3.2
- pandas>=2.1
- pandas>=2.2
- pymbar>=4
- scipy
- scikit-learn
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2 changes: 1 addition & 1 deletion environment.yml
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Expand Up @@ -4,7 +4,7 @@ channels:
dependencies:
- python
- numpy
- pandas>=2.1
- pandas>=2.2
- pymbar>=4
- scipy
- scikit-learn
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -43,7 +43,7 @@ requires-python = ">=3.11"

dependencies = [
"numpy!=2.3.0,!=2.3.1,!=2.3.2",
"pandas>=2.1",
"pandas>=2.2",
"pymbar>=4",
"scipy",
"scikit-learn",
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