diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index f582ad84b..1bf5e23e9 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -11,7 +11,7 @@ dependencies: - numpy =1.23.5 - phonopy =2.20.0 - plotly =5.16.1 -- pymatgen =2023.7.20 +- pymatgen =2023.9.10 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.11.2 diff --git a/setup.py b/setup.py index 731c710a4..7f625388a 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.11.2', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.0.3', 'pymatgen==2023.8.10'], + "grainboundary": ['aimsgb==1.0.3', 'pymatgen==2023.9.10'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.6'], "plotly": ['plotly==5.16.1'], "clusters": ['scikit-learn==1.3.0'], "symmetry": ['spglib==2.0.2'], - "surface": ['spglib==2.0.2', 'pymatgen==2023.8.10'], + "surface": ['spglib==2.0.2', 'pymatgen==2023.9.10'], "phonopy": ['phonopy==2.20.0', 'spglib==2.0.2'], "pyxtal": ['pyxtal==0.5.9'] },