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Update examples to use Sage 2.3.0#2214

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mattwthompson wants to merge 8 commits into
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sage-2.3.0-examples
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Update examples to use Sage 2.3.0#2214
mattwthompson wants to merge 8 commits into
mainfrom
sage-2.3.0-examples

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@mattwthompson

@mattwthompson mattwthompson commented Jul 8, 2026

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Closes #2204

  • Use Sage 2.3.0 in examples
  • Treat NAGL as required in examples
  • Treat RDKit as required in examples
  • Do not install AmberTools in examples
  • Do not install OpenMMForceFields in examples
  • Update other dependencies to minimum versions
  • Re-run notebooks
  • Tag issue being addressed
  • Add tests
  • Update docstrings/documentation, if applicable
  • Lint codebase
  • Update changelog

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Comment on lines -20 to +21
- openff-nagl-base >=0.4.0
- openff-nagl-models >=0.3.0
- openff-nagl-base >=0.5.3
- openff-nagl-models >=2025

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These do not need to be here - they are not imported in code - and ought to be implicitly available if the openff-forcefields constraint is accurate

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codecov Bot commented Jul 8, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 94.17%. Comparing base (f2317d1) to head (c8e3bdf).

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@mattwthompson mattwthompson marked this pull request as ready for review July 8, 2026 18:21
@mattwthompson mattwthompson requested a review from j-wags as a code owner July 8, 2026 18:21
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Use Sage 2.3.0

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