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Fixing pytest nbval fails #332

Merged
merged 4 commits into from
Apr 30, 2023
Merged

Fixing pytest nbval fails #332

merged 4 commits into from
Apr 30, 2023

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mbackenkoehler
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@mbackenkoehler mbackenkoehler commented Apr 25, 2023

The output checks fail, because in the new pandas version, the output is formatted slightly different.

EDIT by @dominiquesydow: See more details in issue #329

@mbackenkoehler mbackenkoehler linked an issue Apr 25, 2023 that may be closed by this pull request
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@mbackenkoehler mbackenkoehler marked this pull request as draft April 25, 2023 15:03
@mbackenkoehler mbackenkoehler marked this pull request as ready for review April 25, 2023 15:04
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Just marked as ready, to get the CI to run.

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Some outputs do not render correctly in T018 anymore. See #334

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@mbackenkoehler, I am not sure but maybe the new pandas version 2.0.0 does not play well with rdkit's PandasTools module and that is why we do not see the molecule images anymore?

@mbackenkoehler mbackenkoehler changed the base branch from master to dev April 30, 2023 14:51
@mbackenkoehler mbackenkoehler merged commit 7efbbd7 into dev Apr 30, 2023
@mbackenkoehler mbackenkoehler deleted the 329-ci-new-pandas-formatting branch May 1, 2023 08:44
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CI: New pandas formatting?
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