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python-pyscf 2.9.0
Dependencies: libcint@6.1.2 xcfun@2.1.1 openblas@0.3.30
Propagated dependencies: python-numpy@1.26.4 python-scipy@1.12.0 python-h5py@3.13.0
Channel: guix
Location: gnu/packages/chemistry.scm (gnu packages chemistry)
Home page: https://github.com/pyscf/pyscf
Licenses: ASL 2.0
Synopsis: Python library for quantum chemistry calculations
Description:

PySCF (Python-based Simulations of Chemistry Framework) is a Python library for quantum chemistry calculations and method development. Most of the functionality is implemented in Python, while computationally critical parts are implemented in C.

Total results: 3