Fix for installed scipy version

cagrikymk / JAX-ReaxFF

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

GNU General Public License v3.0

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Closed ohearnk closed 2 months ago

ohearnk commented 2 months ago

scipy.linag.tril is missing for scipy > v1.12.0 (see, e.g., https://github.com/octo-models/octo/issues/71).

This PR pins the installed version to at most v1.12.0. This change can be removed in the future if the dependent code instead switches to using numpy.tril for newer versions of numpy (https://numpy.org/doc/stable/reference/generated/numpy.tril.html).

cagrikymk commented 2 months ago

Hi Kurt, Yes this seems appropriate, thank you for the fix!