Fix pandas failure

[schallerdavid]

Description

This PR investigates recent failures of the CI when using the PandasTools from RDKit (#204).

Todos

• Identify problem

Status

• Ready to go

[schallerdavid]

Hey @dominiquesydow and @t-kimber ,

I think I found the issue. It is about changes to PandasTools with the new RDKit release. However, I am having a hard time getting all CI runs green. It's mostly about a connection problem when requesting data online. This is completely random across the different Python versions and operating systems tested. Did you also observe such behavior recently?

[dominiquesydow]

Hi @schallerdavid, thank you for the fix!!

Could you please raise an issue that reminds us to un-pin rdkit again, once the problem is solved on their end?

Regarding the connection problems - I started to collect frequent trouble-makers here to address them in one go in a separate PR:
#199

For this PR, let's merge even if we have the usual connection CI problems.

[dominiquesydow]

Good to go from my side, thank you!

[schallerdavid]

@dominiquesydow I can't merge without all tests passing. Do you have such power :) ?

I will give it a few more attempts.

[t-kimber]

@dominiquesydow I can't merge without all tests passing. Do you have such power :) ?

I will give it a few more attempts.

Hi @schallerdavid , don't you have this option ?

• Use your administrator privileges to merge this pull request.

[dominiquesydow]

I have the power :) I will merge now (the tests will rerun anyways after the merge, no need to wait).

[schallerdavid]

Ohh, just saw you merged something, maybe it was for this reason.

[dominiquesydow]

@schallerdavid - I just checked, @t-kimber is right, you are an admin according to TOC's GH settings; so you can merge with admin rights in the future. You have the power, too :)