diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index f8a527766..43e98be79 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -11,7 +11,7 @@ dependencies: - numpy =1.26.0 - phonopy =2.20.0 - plotly =5.17.0 -- pymatgen =2023.9.10 +- pymatgen =2023.10.4 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.11.3 diff --git a/setup.py b/setup.py index 1f03ffc0e..b1e62192e 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.11.3', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.1.0', 'pymatgen==2023.9.10'], + "grainboundary": ['aimsgb==1.1.0', 'pymatgen==2023.10.4'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.8'], "plotly": ['plotly==5.17.0'], "clusters": ['scikit-learn==1.3.1'], "symmetry": ['spglib==2.1.0'], - "surface": ['spglib==2.1.0', 'pymatgen==2023.9.10'], + "surface": ['spglib==2.1.0', 'pymatgen==2023.10.4'], "phonopy": ['phonopy==2.20.0', 'spglib==2.1.0'], "pyxtal": ['pyxtal==0.6.0'] },