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1 parent d97dc1b commit 3d536eaCopy full SHA for 3d536ea
.ci_support/environment.yml
@@ -12,7 +12,7 @@ dependencies:
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- numpy =1.26.4
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- phonopy =2.37.0
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- plotly =6.0.0
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-- pymatgen =2025.1.24
+- pymatgen =2025.2.18
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- pyscal3 =3.2.7
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- pyxtal =1.0.6
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- scikit-learn =1.6.1
pyproject.toml
@@ -39,7 +39,7 @@ Repository = "https://github.com/pyiron/structuretoolkit"
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dscribe = ["dscribe==2.1.1"]
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grainboundary = [
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"aimsgb==1.1.1",
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- "pymatgen==2025.1.24",
+ "pymatgen==2025.2.18",
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]
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pyscal = ["pyscal3==3.2.7"]
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nglview = ["nglview==3.1.4"]
@@ -49,7 +49,7 @@ clusters = ["scikit-learn==1.6.1"]
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symmetry = ["spglib==2.5.0"]
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surface = [
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"spglib==2.5.0",
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phonopy = [
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"phonopy==2.37.0",
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