Numpy 2.0 compatibility

pyscf / pyscf-forge

pyscf-forge is a staging ground for code that may be suitable for pyscf-core

Apache License 2.0

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Closed MatthewRHermes closed 5 months ago

MatthewRHermes commented 5 months ago

remove np.string_

MatthewRHermes commented 5 months ago

I think the failed test is a fluke (tolerance is 5e-6; delta is 6e-6; method is CASCI-PDFT which is highly susceptible to rounding errors)

sunqm commented 5 months ago

I agree. How about loosening the threshold a little bit?

MatthewRHermes commented 5 months ago

sure