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Merge branch 'main' into dependabot/pip/numpy-2.2.1
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jan-janssen authored Dec 24, 2024
2 parents 29f7400 + 5ae7052 commit c12e518
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Showing 7 changed files with 11 additions and 11 deletions.
4 changes: 2 additions & 2 deletions .ci_support/environment-docs.yml
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Expand Up @@ -11,11 +11,11 @@ dependencies:
- numpy =1.26.3
- scipy =1.14.1
- spglib =2.5.0
- phonopy =2.26.6
- phonopy =2.33.3
- structuretoolkit =0.0.28
- seekpath =2.1.0
- lammps =2024.06.27
- pandas =2.2.3
- pylammpsmpi =0.2.26
- jinja2 =3.1.4
- jinja2 =3.1.5
- jupyter-book =1.0.0
2 changes: 1 addition & 1 deletion .ci_support/environment-lammps.yml
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Expand Up @@ -5,6 +5,6 @@ dependencies:
- openmpi =4.1.6
- pandas =2.2.3
- pylammpsmpi =0.2.26
- jinja2 =3.1.4
- jinja2 =3.1.5
- iprpy-data =2023.07.25
- dynaphopy =1.17.16
2 changes: 1 addition & 1 deletion .ci_support/environment-notebooks.yml
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Expand Up @@ -7,5 +7,5 @@ dependencies:
- lammps =2024.06.27
- pandas =2.2.3
- pylammpsmpi =0.2.26
- jinja2 =3.1.4
- jinja2 =3.1.5
- dynaphopy =1.17.16
2 changes: 1 addition & 1 deletion .ci_support/environment.yml
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Expand Up @@ -7,7 +7,7 @@ dependencies:
- mendeleev =0.19.0
- numpy =2.2.1
- pandas =2.2.3
- phonopy =2.26.6
- phonopy =2.33.3
- requests =2.32.3
- scipy =1.14.1
- seekpath =2.1.0
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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: v0.8.3
rev: v0.8.4
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 @@ -5,13 +5,13 @@ dependencies:
- numpy =2.2.1
- scipy =1.14.1
- spglib =2.5.0
- phonopy =2.26.6
- phonopy =2.33.3
- structuretoolkit =0.0.28
- seekpath =2.1.0
- gpaw =24.6.0
- lammps =2024.06.27
- pandas =2.2.3
- pylammpsmpi =0.2.26
- jinja2 =3.1.4
- jinja2 =3.1.5
- dynaphopy =1.17.16
- tqdm =4.67.1
6 changes: 3 additions & 3 deletions pyproject.toml
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Expand Up @@ -38,7 +38,7 @@ Repository = "https://github.com/pyiron/atomistics"

[project.optional-dependencies]
phonopy = [
"phonopy==2.26.6",
"phonopy==2.33.3",
"seekpath==2.1.0",
"structuretoolkit==0.0.28",
]
Expand All @@ -47,12 +47,12 @@ gpaw = [
]
lammps = [
"pylammpsmpi==0.2.26",
"jinja2==3.1.4",
"jinja2==3.1.5",
"pandas==2.2.3",
]
lammps_phonons = [
"pylammpsmpi==0.2.26",
"jinja2==3.1.4",
"jinja2==3.1.5",
"pandas==2.2.3",
"dynaphopy==1.17.16",
]
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