channels:
- conda-forge
dependencies:
- python
- ase=3.29.0
- executorlib=1.10.3
- h5py=3.16.0
- hatchling=1.32.4
- hatch-vcs=0.5.0
- lammpsparser=0.0.9
- lammps=2024.08.29
- matplotlib-base=3.11.1
- nglview=3.1.4
- numpy=2.5.3
- pandas=3.0.5
- pyscal3=3.3.2
- scikit-learn=1.9.0
- setuptools=79.0.1
- structuretoolkit=0.0.46