Standardize CIF files before analyzing them #25
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kjappelbaum
reviewed
Nov 28, 2024
| @@ -1,3 +1,3 @@ | |||
| [build-system] | |||
| requires = ["setuptools>=42", "wheel", "pybind11~=2.6"] | |||
| requires = ["setuptools>=42", "wheel", "pybind11~=2.6", "manage_crystal"] | |||
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is it also already required in the build?
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otherwise, it looks very good to me, and thanks for spotting and fixing this!
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Fixes #24 by standardizing CIF files with the manage_crystal library before the charge computing.