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PySCF is incompatible with NumPy 2.0 · Issue #2260 · pyscf/pyscf · GitHub

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Compilation problem with CUDA · Issue #23 · pyscf/gpu4pyscf · GitHub

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error when installing pyscf on windows · Issue #1857 · pyscf/pyscf · GitHub

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Issue with cmake during installation of pyscf · Issue #1684 · pyscf ...

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wB97m-D3BJ · Issue #95 · pyscf/gpu4pyscf · GitHub

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