Fix pandas 1.3/1.4 support #148
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## master #148 +/- ##
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Coverage 97.70% 97.70%
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Files 20 20
Lines 1091 1091
Branches 230 230
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Hits 1066 1066
Misses 5 5
Partials 20 20
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Good for a quick fix. Eventually we want to revert the fix and just exclude buggy versions of pandas in setup.py.
I see that pandas has already a bug fix PR pandas-dev/pandas#42469 and the next patch release will likely have it fixed.
Please add comments to the hot fix lines and also add a comment to setup.py for which versions of pandas we'll eventually exclude. Once that's done, merge, please. Thank you!
src/alchemlyb/estimators/ti_.py
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| @@ -61,7 +61,7 @@ def fit(self, dHdl): | |||
| l_types = dHdl.index.names[1:] | |||
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| # obtain vector of delta lambdas between each state | |||
| dl = means.reset_index()[means.index.names[:]].diff().iloc[1:].values | |||
| dl = means.reset_index()[list(means.index.names[:])].diff().iloc[1:].values | |||
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add a comment that we undo this fix once pandas is fixed
src/alchemlyb/estimators/ti_.py
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| @@ -133,7 +133,7 @@ def separate_dhdl(self): | |||
| # get the lambda names | |||
| l_types = self.dhdl.index.names | |||
| # obtain bool of changed lambdas between each state | |||
| lambdas = self.dhdl.reset_index()[l_types] | |||
| lambdas = self.dhdl.reset_index()[list(l_types)] | |||
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add a comment that we undo this fix once pandas is fixed
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Note: the fix PR pandas-dev/pandas#42469 is in their 1.3.1 milestone so we will just have to exclude 1.3.0 in the install_requires list Line 46 in dce2893 "pandas>=1.2,!=1.3.0" |
Fix #147
Due to pandas-dev/pandas#42433, this will need some fix from upstream.
I have done a patch to fix the problem.