diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index e827f72c2..1dc659634 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -12,7 +12,7 @@ dependencies: - numpy =1.26.4 - phonopy =2.26.6 - plotly =5.24.1 -- pymatgen =2024.9.17.1 +- pymatgen =2024.10.3 - pyscal3 =3.2.7 - pyxtal =1.0.3 - scikit-learn =1.5.2 diff --git a/pyproject.toml b/pyproject.toml index 40ee3da79..1b64b0574 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -39,7 +39,7 @@ Repository = "https://github.com/pyiron/structuretoolkit" dscribe = ["dscribe==2.1.1"] grainboundary = [ "aimsgb==1.1.1", - "pymatgen==2024.9.17.1", + "pymatgen==2024.10.3", ] pyscal = ["pyscal3==3.2.7"] nglview = ["nglview==3.1.2"] @@ -49,7 +49,7 @@ clusters = ["scikit-learn==1.5.2"] symmetry = ["spglib==2.5.0"] surface = [ "spglib==2.5.0", - "pymatgen==2024.9.17.1", + "pymatgen==2024.10.3", ] phonopy = [ "phonopy==2.26.6",