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Merge utilities package - #2213

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mattwthompson wants to merge 9 commits into
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merge-utilities-package
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mattwthompson wants to merge 9 commits into
mainfrom
merge-utilities-package

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@mattwthompson

@mattwthompson mattwthompson commented Jul 6, 2026

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Summary of changes

  • Conda/AmberTools provenance methods are now in openff.toolkit.utils._provenance, intentionally private
  • skip_if_missing, skip_if_missing_exec, and requires_pkg (for testing purposes) are now found in openff.toolkit._tests.utils
  • requires_package (for non-testing purposes), requires_oe_module, has_package, its alias has_pkg, and has_executable are now found in openff.toolkit.utils.utils
  • MissingOptionalDependencyError, CondaExecutableNotFoundError, and CondaExecutableNotFoundWarning are now found in openff.toolkit.utils.exceptions just like all other exceptions and warnings.
    • The above exceptions now inherit from OpenFFToolkitException instead of a OpenFFError which exists in openff.utilities but is probably un-noticed by the world
  • get_data_dir_path, similar to an existing get_data_file_path, is added to openff.toolkit.utils.utils

@codecov

codecov Bot commented Jul 6, 2026

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Codecov Report

❌ Patch coverage is 50.92593% with 53 lines in your changes missing coverage. Please review.
✅ Project coverage is 93.47%. Comparing base (f4566b8) to head (d671782).

🚀 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 20:51
@mattwthompson
mattwthompson requested a review from j-wags as a code owner July 8, 2026 20:51
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