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Release XpongeCPP 0.2.8 - #5

Merged
xiaoxuan-yu merged 1 commit into
codex/xpongecpp-v1from
fix/resp-diagnostics-attributes
Aug 21, 2026
Merged

xiaoxuan-yu merged 1 commit into
codex/xpongecpp-v1from
fix/resp-diagnostics-attributes

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Summary

  • allow pybind-backed Assign instances to retain Python compatibility attributes
  • restore RESP charge_fit_diagnostics and charge_fit_metadata persistence
  • align release metadata and compatibility target with Xponge 1.7.1

Validation

  • full suite against official Xponge 1.7.1: 704 passed, 29 skipped, 1 xfailed
  • Assign compatibility cohort: 59 passed, 8 skipped
  • release-focused tests: 22 passed
  • real PySCF RESP calculation: charge sum 0, max constraint residual 0
  • wheel/sdist build and twine check passed
  • isolated wheel install confirmed version and dynamic attributes

@xiaoxuan-yu
xiaoxuan-yu marked this pull request as ready for review August 21, 2026 08:19
@xiaoxuan-yu
xiaoxuan-yu merged commit f4eb427 into codex/xpongecpp-v1 Aug 21, 2026
8 checks passed
@xiaoxuan-yu
xiaoxuan-yu deleted the fix/resp-diagnostics-attributes branch August 21, 2026 08:19
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