diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 4aa6414b6..8840919d8 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -10,7 +10,7 @@ dependencies: - numpy =1.24.3 - phonopy =2.20.0 - plotly =5.15.0 -- pymatgen =2023.5.31 +- pymatgen =2023.7.17 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.10.1 diff --git a/setup.py b/setup.py index ea4eafef9..3f4306f2a 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.10.1', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.0.1', 'pymatgen==2023.5.31'], + "grainboundary": ['aimsgb==1.0.1', 'pymatgen==2023.7.17'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.5'], "plotly": ['plotly==5.15.0'], "clusters": ['scikit-learn==1.3.0'], "symmetry": ['spglib==2.0.2'], - "surface": ['spglib==2.0.2', 'pymatgen==2023.5.31'], + "surface": ['spglib==2.0.2', 'pymatgen==2023.7.17'], "phonopy": ['phonopy==2.20.0', 'spglib==2.0.2'], }, cmdclass=versioneer.get_cmdclass(),