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support two qca branches #2821

Merged
merged 11 commits into from
Dec 5, 2022
Merged

support two qca branches #2821

merged 11 commits into from
Dec 5, 2022

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loriab
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@loriab loriab commented Dec 3, 2022

Description

Compromise version with #2645. That replaced the longstanding v0.15 qcfractal/qcportal with v0.50b "next" branch. This one allows either. Adds a test, via ecosystem mac testing v0.15. CI testing of "next" didn't work out, but it's ok locally. Also switched to mamba solver for conda since qca is long to solve for.

User API & Changelog headlines

  • Additionally support the next branch of QCArchive with the distributed driver, as well as the longstanding v0.15.8

Checklist

Status

  • Ready for review
  • Ready for merge

closes #2645

@loriab loriab added this to the Psi4 1.7 milestone Dec 4, 2022
@loriab loriab added testing external-interface For issues about interfaces with external programs: ADCC, CheMPS2, GDMA, MRCC... labels Dec 4, 2022
@JonathonMisiewicz JonathonMisiewicz merged commit 32ccbbe into psi4:master Dec 5, 2022
@loriab loriab deleted the qcf branch December 5, 2022 21:48
@loriab loriab mentioned this pull request Dec 13, 2022
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3 participants