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Dependencies
- molviewspec >=1.6.0
- more-itertools >=10.0
- numpy >=1.8
- pyfftw >=0.12.0
- rich
- scipy
- tqdm
23 optional dependencies
- cupy-cuda12x[cuda12x]
- cupy-cuda13x[cuda13x]
- cython-lint[dev]
- mkdocs[docs]
- mkdocs-charts-plugin[docs]
- mkdocs-material[docs]
- mkdocs-rich-argparse[docs]
- mkdocstrings-python[docs]
- pandas[dev]
- pooch[dev]
- pyopencl[opencl]
- pyopencl[pocl]
- pytest[dev]
- pytest-cov[dev]
- pyvkfft[pocl]
- pyvkfft[cuda12x]
- pyvkfft[opencl]
- pyvkfft[cuda13x]
- ruff[dev]
- siphash24[cuda12x]
- siphash24[cuda13x]
- siphash24[opencl]
- siphash24[pocl]