Dependencies: put upper limit markupsafe<2.1

[unkcpz]

The latest release markupsafe==2.1 breaks jinja<3.0 and that in
turn breaks click.

[codecov]

Codecov Report

Merging #326 (7841462) into develop (a066be4) will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff            @@
##           develop     #326   +/-   ##
========================================
  Coverage    92.93%   92.93%           
========================================
  Files           32       32           
  Lines         1373     1373           
========================================
  Hits          1276     1276           
  Misses          97       97           

Flag	Coverage Δ
aiida	89.36% <ø> (ø)
mongo	79.16% <ø> (ø)

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[CasperWA]

Indeed. But this is not an issue of aiida-optimade but rather of aiida-core.
The failing workflows fail before they even touch anything aiida-optimade.
Only pip, setuptools, wheel, and aiida-core are installed before running verdi. Hence this really shouldn't be a fix implemented here but rather as a patch to AiiDA, which should then make all this work again.

[CasperWA]

As a reference, this was also an issue in the upstream OPTIMADE Python tools (optimade) package, which has now been fixed and a patch version released. This is being updated in #325, and there the failing CI jobs are the same as here, essentially.

[unkcpz]

@CasperWA thanks. So if I understand correctly, this issue comes from the optimade[mongo]~=0.16.10? Since the issue only happened to aiida-core for [docs]. This will be fixed once that PR is merged?

[CasperWA]

So if I understand correctly, this issue comes from the optimade[mongo]~=0.16.10?

No. See this run. And see the workflow here.
It's clear from the run that optimade is not installed. The only package directly installed are: pip, setuptools, wheel, and aiida-core - everything else are dependencies of those.
Then in the step "Load test data (AiiDA)" the jinja issue arises through calling verdi import.

Ergo it seems to be an issue with the latest release of AiiDA that needs to be fixed.
And it is already fixed in the master branch of AiiDA, but it has not yet been released, hence my comment here.

[CasperWA]

Fixed in #329