exa-analytics / exatomic

A unified platform for theoretical and computational chemists
https://exa-analytics.github.io/exatomic
Apache License 2.0
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Failing tests #174

Closed herbertludowieg closed 4 years ago

herbertludowieg commented 4 years ago

Describe the bug Some of the tests are failing since the change from pandas 0.24.2 to 0.25. This issue is related to #173, where the categorical columns aren't handled correctly.

To Reproduce Running the test suite.

Expected behavior All passing

Additional context Currently looking at the ADF output tests. I have noticed that with at least 1 output file on the resource directories the issue is not presented on an initial test (see jupyter notebook). There is one difference between the files, looking at the basis set section, but it would be odd for that to be the reason. Will do further testing with that thought in mind. adf-test.zip

Update 3/19/2020

avmarchenko commented 4 years ago

Closed by PR 176