Do not use `numpy.asfarray` which is removed in 2.0

leeping / forcebalance

Systematic force field optimization.

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Do not use `numpy.asfarray` which is removed in 2.0 #295

Closed mattwthompson closed 1 month ago

mattwthompson commented 8 months ago

https://numpy.org/devdocs/release/2.0.0-notes.html#numpy-2-0-python-api-removals

$ git checkout upstream/master && ruff check --preview --select NPY201 . --exclude tools
HEAD is now at b395fd4b Replace &> run.log with > run.log 2>&1 (dash compatible)
src/molecule.py:3173:22: NPY201 `np.asfarray` will be removed in NumPy 2.0. Use `np.asarray` with a `float` dtype instead.
Found 1 error.

leeping commented 8 months ago

Thank you, Matt - I'll merge it now. I think the test failures are unrelated.