v0.17.0
[0.17.0]
This release includes some consolidation of YAML that most users do not interact with. It also updates a few parameters specific to the Rosen group. There should be no notable breaking changes for regular users of quacc.
Added
- Added
RosenFastSetPBE.yaml,RosenFastSetR2SCAN.yaml, andsetups_rosen.yaml - The user will now be warned if they are likely to have Pulay stresses due to the use of
Li_svandENCUT< 650
Changed
- Renamed
magmoms_base.yamltomagmoms_high.yaml - Merged the identical
setups_54.yamlandsetups_64.yamlfiles into a singlesetups_recommended.yaml - The RosenSets will now use
Eu_3andYb_3instead ofEu_2andYb_2
What's Changed
- include tensornet as method in phonons.py by @blaked8619 in #2829
- Bump emmet-core from 0.84.7rc1 to 0.84.8 by @dependabot[bot] in #2830
- Bump parsl[monitoring] from 2025.6.2 to 2025.6.9 by @dependabot[bot] in #2838
- Bump pydantic from 2.11.5 to 2.11.7 by @dependabot[bot] in #2831
- Bump prefect[dask] from 3.4.0 to 3.4.6 by @dependabot[bot] in #2832
- Bump phonopy from 2.38.2 to 2.40.0 by @dependabot[bot] in #2833
- Bump pymatgen from 2025.5.28 to 2025.6.14 by @dependabot[bot] in #2835
- Bump covalent from 0.240.0rc0 to 0.240.0 by @dependabot[bot] in #2834
- Bump sevenn from 0.11.1 to 0.11.2.post1 by @dependabot[bot] in #2837
- Bump covalent-cloud from 1.0.0 to 1.2.0 by @dependabot[bot] in #2836
- Bump pydantic-settings from 2.9.1 to 2.10.0 by @dependabot[bot] in #2839
- Bump parsl[monitoring] from 2025.6.9 to 2025.6.16 by @dependabot[bot] in #2840
- Bump pydantic-settings from 2.10.0 to 2.10.1 by @dependabot[bot] in #2842
- Bump prefect[dask] from 3.4.6 to 3.4.7 by @dependabot[bot] in #2843
- Bump phonopy from 2.40.0 to 2.41.0 by @dependabot[bot] in #2844
- Bump jobflow-remote[gui] from 0.1.6 to 0.1.7 by @dependabot[bot] in #2845
- Bump parsl[monitoring] from 2025.6.16 to 2025.6.23 by @dependabot[bot] in #2846
- Bump fairchem-core from 2.2.0 to 2.3.0 by @dependabot[bot] in #2848
- Bump parsl[monitoring] from 2025.6.23 to 2025.6.30 by @dependabot[bot] in #2849
- Bump phonopy from 2.41.0 to 2.41.1 by @dependabot[bot] in #2850
- pre-commit autoupdate by @pre-commit-ci[bot] in #2847
- Bump parsl[monitoring] from 2025.6.30 to 2025.7.7 by @dependabot[bot] in #2851
- Bump dask[distributed] from 2025.5.1 to 2025.7.0 by @dependabot[bot] in #2852
- Bump redun from 0.27.0 to 0.28.0 by @dependabot[bot] in #2853
- Bump prefect[dask] from 3.4.7 to 3.4.8 by @dependabot[bot] in #2854
- CI cleanup by @Andrew-S-Rosen in #2857
- Rename setup base files by @Andrew-S-Rosen in #2858
Full Changelog: v0.16.0...v0.17.0