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CI: Test MDAnalysis Version Compatibility Matrix #90

@harryswift01

Description

@harryswift01

To ensure robust compatibility and prevent regressions, we should expand the CI setup to test against multiple versions of MDAnalysis. This will help us validate that our codebase works reliably across a range of supported versions and catch breaking changes early.

  • Test multiple versions of MDAnalysis
  • Use a matrix strategy in CI to cover combinations
  • Pin specific versions of MDAnalysis where needed
  • Optionally use Conda environments for dependency resolution
  • Define version ranges in pyproject.toml for reproducibility

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