diff --git a/pyproject.toml b/pyproject.toml index 71504b8..c068bba 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -18,7 +18,7 @@ numpy = "^1.20" toml = ">=0.10" scipy = "^1" mpi4py = "^3" -pymatgen = ">=2019.12.3 <2023.5.8" +pymatgen = ">=2022.1.20 <2023.5.8" qe_tools = "^1.1" nequip = {version=">=0.5.6", optional=true}