update to qcengine v0.28 #3022

loriab · 2023-08-11T06:27:53Z

Description

SVWN reference Hessians MolSSI/QCEngine#424 takes over the refs removed from here. (it might be easier to look at the final file https://github.com/loriab/psi4/blob/svwn_refs/tests/pytests/standard_suite_ref_local.py that only has a few FCI/CISD values left; the blocks have been rearranged to a conventional order.)
bump to qcengine v0.28

external/upstream/qcengine/CMakeLists.txt

loriab added testing cleanup For issues where the goal is to make Psi4 a little cleaner. labels Aug 11, 2023

loriab added this to the Psi4 1.9 milestone Aug 11, 2023

loriab commented Aug 19, 2023

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loriab commented Aug 19, 2023

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loriab added 2 commits August 19, 2023 11:37

clear out local refs for qcengine v0.28

1c59d52

Apply suggestions from code review

01d3500

loriab force-pushed the svwn_refs branch from 98edc51 to 01d3500 Compare August 19, 2023 15:37

hokru approved these changes Aug 19, 2023

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maxscheurer approved these changes Aug 20, 2023

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loriab added this pull request to the merge queue Aug 20, 2023

Merged via the queue into psi4:master with commit e36d741 Aug 20, 2023
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