Release dependency caps for pandas 3 incompatibility#2
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Closes #1.
Summary
pandas<3.0.0to the Conda environmentnumpy<2.0.0constraintsWhy
Pandas 3 changes
GroupBy.applybehavior used during DIA window extraction. The grouping columns can be absent from the resulting frames, causingKeyError: 'quad_low_mz_values'. The released 1.0.2 metadata does not cap pandas, even thoughmainnow does.No analysis logic is changed.
Validation
mainfull_dia/__init__.pyandrequirements/fulldia_cuda12.ymlchangedmain