MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

https://molssi.github.io/QCEngine/

BSD 3-Clause "New" or "Revised" License

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Update "brand" to "brand_raw" after py-cpuinfo 6.0.0 #253

Closed mattwthompson closed 4 years ago

mattwthompson commented 4 years ago

Description

Updates the API after py-cpuinfo was bumped to 6.0.0, resolves #252

Changelog description

"brand" key -> "brand_raw"

Status

[x] Code base linted
[x] Ready to go

codecov[bot] commented 4 years ago

Codecov Report

Merging #253 into master will decrease coverage by 0.03%. The diff coverage is 60.00%.

mattwthompson commented 4 years ago

Either 8f082c7 or 0f14407 should be included for better compatibility with dependents, but probably not both. Let me know what is preferred and I will nuke the other

loriab commented 4 years ago

My vote is for 8f082c7.

loriab commented 4 years ago

No one else is registering an opinion, so could you adjust this PR to the 5&6 choice, then we'll get it merged?

mattwthompson commented 4 years ago

Force-pushed! Everything passes locally with an updated environment (albeit only with RDKit), so should be good to go.

loriab commented 4 years ago

Would you be so kind as to bump https://github.com/MolSSI/QCEngine/blob/master/qcengine/programs/psi4.py#L196 from 650 to 750? that'll fix up the psi4dev env and avert a separate PR.