- Overhauled handling of Prefect futures/states. Refer to the documentation for more details. - The minimum supported Python version is now 3.10 in alignment with Pymatgen
0.11.4
Changed
- Put a `<=` version pin on Atomate2 to resolve upstream breaking change
0.11.3
Added
- Added support for `preset: Path` type in the `Espresso` calculator - Raise a custom `JobFailure` error when a calculation fails, which stores the directory where the files remain as well as the parent error
Fixed
- Fixed Parsl MPI support for Espresso recipes - Fixed miscellaneous inconsistencies with `preset` handling
0.11.2
Added
- Added support for `preset: Path` type in the `Vasp` calculator