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2 parents 7cc3ad7 + 2b06a6f commit ab5021dCopy full SHA for ab5021d
.ci_support/environment.yml
@@ -11,7 +11,7 @@ dependencies:
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- numpy =1.26.4
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- phonopy =2.22.1
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- plotly =5.19.0
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-- pymatgen =2024.3.1
+- pymatgen =2024.4.12
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- pyscal =2.10.18
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- pyxtal =0.6.2
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- scikit-learn =1.4.2
pyproject.toml
@@ -39,7 +39,7 @@ Repository = "https://github.com/pyiron/structuretoolkit"
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dscribe = ["dscribe==2.1.0"]
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grainboundary = [
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"aimsgb==1.1.1",
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- "pymatgen==2024.3.1",
+ "pymatgen==2024.4.12",
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]
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pyscal = ["pyscal2==2.10.18"]
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nglview = ["nglview==3.1.2"]
@@ -49,7 +49,7 @@ clusters = ["scikit-learn==1.4.2"]
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symmetry = ["spglib==2.4.0"]
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surface = [
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"spglib==2.4.0",
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phonopy = [
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"phonopy==2.22.1",
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