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quacc – The Quantum Accelerator

Authors: Rosen, Andrew;

quacc – The Quantum Accelerator

Abstract

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

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