Advertised Version: 1.8.1
Continuous Version: 1.8.1
Release Date: 13 July 2023
Documentation: https://psicode.org/psi4manual/1.8.x/ . Use #2965 for build documentation.
Availability: Public, GitHub source, CMake build, DNE Conda binary installers, DNE Docker
Span: 7 PRs

Conda Package Updates

• includes PCMSolver
• includes libECPInt (build _2 onwards; not present for osx-arm64 with py != 3.10 in build _1 or _0)
• includes files so psi4 --plugin-compile from Linux and Mac can work off the conda binary
• compatible with pydantic v1 or v2 in build _2

Bug Fixes

• #2963 fixes correctness bug in LPB routine with pyddx; now requires >= v0.4.2
• #2984 avoids segfaulting in DFHelper if molecule given a name with a slash in it
• #2988 adjusts wavefunction plugin template for new doccpi syntax
• #2972 adjusts file handling so PCMSolver can work on Windows
• #3007 adjusts threading test for libomp/libiomp5 equivalence on c-f
• #3008 avoids requiring pytest for DFT dispersion calcs
• #2997 prints full PSIO error messages to cerr, too