Published March 28, 2026 | Version v1.2.1
Software Open

quacc – The Quantum Accelerator

Authors/Creators

  • 1. Department of Chemical and Biological Engineering, Princeton University

Description

What's Changed

  • Fix ASE CI issue by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3138
  • Prep to exercise CI by @vineetbansal in https://github.com/Quantum-Accelerators/quacc/pull/3140
  • Bump shakenbreak from 3.4.3 to 3.4.4 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3142
  • Bump pydantic-settings from 2.12.0 to 2.13.0 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3143
  • Bump phonopy from 2.47.1 to 2.48.0 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3141
  • Bump parsl[monitoring] from 2026.1.26 to 2026.2.9 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3136
  • Bump prefect[dask] from 3.6.15 to 3.6.16 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3135
  • Bump jobflow from 0.3.0 to 0.3.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3134
  • Pinning fairchem by @vineetbansal in https://github.com/Quantum-Accelerators/quacc/pull/3146
  • Bump prefect[dask] from 3.6.16 to 3.6.20 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3150
  • Bump typer from 0.17.4 to 0.24.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3148
  • Bump parsl[monitoring] from 2026.2.9 to 2026.2.16 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3152
  • Bump mace-torch from 0.3.14 to 0.3.15 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3153
  • Bump pydantic-settings from 2.13.0 to 2.13.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3149
  • Autodiscover paths in the no-engine case by @vineetbansal in https://github.com/Quantum-Accelerators/quacc/pull/3139
  • Bump monty from 2025.3.3 to 2026.2.18 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3151
  • pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3157
  • Fix: BinningAutoBatcher/InFlightAutoBatcher ignores model.memory_scales_with by @orionarcher in https://github.com/Quantum-Accelerators/quacc/pull/3155
  • Bump actions/download-artifact from 7 to 8 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3159
  • Bump parsl[monitoring] from 2026.2.16 to 2026.3.2 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3162
  • Bump actions/upload-artifact from 6 to 7 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3160
  • Bump fairchem-core from 2.14.0 to 2.15.0 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3161
  • mkdocs -> zensical migration by @vineetbansal in https://github.com/Quantum-Accelerators/quacc/pull/3163
  • Fixes with menu generation of source by @vineetbansal in https://github.com/Quantum-Accelerators/quacc/pull/3164
  • Bump prefect[dask] from 3.6.20 to 3.6.21 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3170
  • Bump fairchem-core from 2.15.0 to 2.17.0 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3169
  • Bump phonopy from 2.48.0 to 3.0.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3167
  • Bump sevenn from 0.12.0 to 0.12.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3166
  • Claude workflow by @vineetbansal in https://github.com/Quantum-Accelerators/quacc/pull/3171
  • Force pp="PBE" when using the PBE pseudopotentials by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3172
  • Bump actions/checkout from 4 to 6 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3173
  • Bump matgl from 2.0.6 to 2.1.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3177
  • Bump parsl[monitoring] from 2026.3.2 to 2026.3.9 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3176
  • Bump prefect[dask] from 3.6.21 to 3.6.22 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3175
  • Bump phonopy from 3.0.1 to 3.1.0 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3174
  • Bump phonopy from 3.1.0 to 3.2.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3184
  • Bump prefect[dask] from 3.6.22 to 3.6.23 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3180
  • Bump pymatgen-analysis-defects from 2025.9.26 to 2026.3.20 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3182
  • Bump parsl[monitoring] from 2026.3.9 to 2026.3.16 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3181
  • Bump fairchem-core from 2.17.0 to 2.18.1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3179

Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v1.2.0...v1.2.1

Notes

Please cite this work as follows if you use quacc.

Files

Quantum-Accelerators/quacc-v1.2.1.zip

Files (34.5 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Accelerators/quacc/tree/v1.2.1 (URL)

Software

Repository URL
https://github.com/Quantum-Accelerators/quacc