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v1.10.1, 2026-05-29

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@loriab loriab released this 04 Jun 00:44
v1.10.1
6183ff5

Advertised Version: 1.10.1
Continuous Version: 1.10.1
Release Date: 29 May 2026
Documentation: https://psicode.org/psi4manual/1.10.x
Availability: Public, GitHub source, CMake build, Conda binary installers, Docker (check back for installers and docker)
Span: ~1 PRs

Conda Package Updates

  • allow OpenOrbitalOptimizer v0.3, QCElemental v0.50, QCEngine v0.50, QCManybody v0.7, pybind11 v3.0.3

Bug Fixes

  • (#3362 partial) update pkg_resources.parse_version to packaging.version.parse in python module dependency detection
  • (#3392 tiny part) fix psi4-path-advisor to handle optional deps that bring psi4 itself in as a dependency (e.g., resp). sometimes these wouldn't solve or would choose very old package versions.
  • update some clang/gcc/openmp constraints for Windows in codedeps.
  • update QCArchive Infrastructure packages documentation locations for intersphinx.
  • allow OpenOrbitalOptimizer v0.3 to be selected.
  • update QCEngine cmake internal build to use the new build backend.
  • (#3392 tiny part) add some error handling to psi4.core.print_out(). This can provide errors when QCEngine calls fail that previously segfaulted.
  • (#3388 partial) turn on a basic unity build to speed up compilation.
  • (#3366) fix a CC2 bug where variables were called without being defined.
  • (#3380 partial) allow BasisSet to compile with pybind11 v3.0.3 .
  • (#3390) fix poor convergence issue that started with v1.10.0 regressing from v1.9.1 . Affected SAD guess.
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