diff --git a/pyproject.toml b/pyproject.toml index fa8d795442..f86cab0fff 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -50,7 +50,7 @@ mp = ["mp-api>=0.37.5"] # phonopy 4.x changed force-constants/primitive-axis handling, breaking the # phonon.save -> phonopy.load round-trip used by the Grüneisen workflow # ("Force constants shape disagrees with crystal structure setting"). -phonons = ["phonopy>=2.43.6,<4", "seekpath>=2.0.0"] +phonons = ["phonopy>=2.43.6,<5", "seekpath>=2.0.0"] lobster = ["ijson>=3.2.2", "lobsterpy>=0.6.0"] defects = [ "dscribe>=1.2.0",