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Merge branch 'main' into dependabot/pip/ase-3.24.0
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jan-janssen authored Jan 8, 2025
2 parents 670f86c + f9402a9 commit f1bf0e7
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Showing 5 changed files with 9 additions and 9 deletions.
4 changes: 2 additions & 2 deletions .ci_support/environment-docs.yml
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Expand Up @@ -11,8 +11,8 @@ dependencies:
- numpy =1.26.3
- scipy =1.14.1
- spglib =2.5.0
- phonopy =2.33.3
- structuretoolkit =0.0.28
- phonopy =2.34.0
- structuretoolkit =0.0.29
- seekpath =2.1.0
- lammps =2024.06.27
- pandas =2.2.3
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4 changes: 2 additions & 2 deletions .ci_support/environment.yml
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Expand Up @@ -7,10 +7,10 @@ dependencies:
- mendeleev =0.19.0
- numpy =1.26.4
- pandas =2.2.3
- phonopy =2.33.3
- phonopy =2.34.0
- requests =2.32.3
- scipy =1.14.1
- seekpath =2.1.0
- spglib =2.5.0
- structuretoolkit =0.0.28
- structuretoolkit =0.0.29
- tqdm =4.67.1
2 changes: 1 addition & 1 deletion .pre-commit-config.yaml
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@@ -1,6 +1,6 @@
repos:
- repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.8.4
rev: v0.8.6
hooks:
- id: ruff
name: ruff lint
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4 changes: 2 additions & 2 deletions binder/environment.yml
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Expand Up @@ -5,8 +5,8 @@ dependencies:
- numpy =1.26.4
- scipy =1.14.1
- spglib =2.5.0
- phonopy =2.33.3
- structuretoolkit =0.0.28
- phonopy =2.34.0
- structuretoolkit =0.0.29
- seekpath =2.1.0
- gpaw =24.6.0
- lammps =2024.06.27
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4 changes: 2 additions & 2 deletions pyproject.toml
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Expand Up @@ -38,9 +38,9 @@ Repository = "https://github.com/pyiron/atomistics"

[project.optional-dependencies]
phonopy = [
"phonopy==2.33.3",
"phonopy==2.34.0",
"seekpath==2.1.0",
"structuretoolkit==0.0.28",
"structuretoolkit==0.0.29",
]
gpaw = [
"gpaw==24.6.0",
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