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31 changes: 15 additions & 16 deletions .ci_support/environment.yml
Original file line number Diff line number Diff line change
@@ -1,18 +1,17 @@
channels:
- conda-forge
- conda-forge
dependencies:
- python>=3.11,<3.13
- pip
- numpy =1.26.4
- ase =3.26.0
- pymatgen =2025.6.14
- pyiron_workflow =0.15.2
- pyiron_lammps =0.4.6
- pandas =2.3.1
- lammps =2024.08.29
# If pyiron_snippets isn’t on conda-forge, install via pip below
- pysqa =0.3.0
- pip:
- pyiron-workflow-atomistics==0.0.2
- pyiron-snippets==0.2.0
- -e .[dev] # install your package + dev extras in editable mode
- python>=3.11,<3.13
- pip
- numpy =1.26.4
- ase =3.26.0
- pymatgen =2025.6.14
- pyiron_workflow =0.15.2
- pyiron_lammps =0.4.6
- pandas =2.3.1
- lammps =2024.08.29
- pysqa =0.3.0
- pip:
- pyiron-workflow-atomistics==0.0.2
- pyiron-snippets==0.2.0
- -e .[dev]
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@ dependencies = [
"pandas==2.3.1",
"pyiron-workflow==0.15.2",
"pyiron-workflow-atomistics==0.0.2",
"pyiron-lammps==0.4.6",
"pyiron-lammps==0.4.8",
"ase==3.26.0",
"pymatgen==2025.6.14",
]
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