v0.7.3

[0.7.3]

Added

• Added new Espresso recipes to perform electron-phonon calculations and Fourier interpolation of the phonon potential

Fixed

• Fixed potential issues with I/O settings and Espresso
• Fixed passing of custom decorators in the Espresso grid_phonon_flow

What's Changed

• Issues with the grid_phonon_flow and custom decorators when using Parsl by @tomdemeyere in #1882
• Fix pytorch dep by @Andrew-S-Rosen in #1951
• Pre-commit fix by @Andrew-S-Rosen in #1954
• Bump typer[all] from 0.10.0 to 0.12.0 by @dependabot in #1957
• Bump emmet-core from 0.81.0 to 0.81.1 by @dependabot in #1958
• Bump prefect from 2.16.6 to 2.16.8 by @dependabot in #1961
• Bump parsl[monitoring] from 2024.3.18 to 2024.3.25 by @dependabot in #1960
• Bump phonopy from 2.22.0 to 2.22.1 by @dependabot in #1962
• Bump monty from 2024.2.26 to 2024.3.31 by @dependabot in #1963
• Make espresso outfiles/outdir water tight by @tomdemeyere in #1956
• pre-commit autoupdate by @pre-commit-ci in #1964
• Bump emmet-core from 0.81.1 to 0.82.0 by @dependabot in #1965
• Bump dask[distributed] from 2024.3.1 to 2024.4.0 by @dependabot in #1966
• Update recipes_intro.md by @Andrew-S-Rosen in #1967
• Better used of TypedDict by @Andrew-S-Rosen in #1968
• Clean up docstrings by @Andrew-S-Rosen in #1976
• Prevent concurrent processes snafu by @Andrew-S-Rosen in #1977
• Update typer by @Andrew-S-Rosen in #1979
• Better defaults for Espresso recipes by @tomdemeyere in #1955
• Bump typer from 0.12.1 to 0.12.2 by @dependabot in #1984
• Bump prefect from 2.16.8 to 2.16.9 by @dependabot in #1980
• Bump parsl[monitoring] from 2024.3.25 to 2024.4.1 by @dependabot in #1983
• Bump emmet-core from 0.82.0 to 0.82.1 by @dependabot in #1981
• Bump dask[distributed] from 2024.4.0 to 2024.4.1 by @dependabot in #1982
• Update phonons.py by @Andrew-S-Rosen in #1985
• Espresso: streamline file copying / additional recipes by @tomdemeyere in #1974

New Contributors

• @pre-commit-ci made their first contribution in #1964

Full Changelog: v0.7.2...v0.7.3