Add the verdi profile caching command

[sphuber]

Fixes #4240

This command will try to load the caching configuration from the caching
configuration file, for any given profile. This is useful for users to
make sure that the file is correctly named and contains correct syntax,
before actually starting to run new calculations.

To test this, a new pytest fixture is created that creates a completely
new and independent configuration folder, along with fixtures to create
profiles to add to the config and caching configuration files. Similar
code already exists for normal unittests, but this can be removed once
those have been refactored to pytests.

[sphuber]

Note that this is missing documentation, but I will add this once PR #4228 has been merged.

[ltalirz]

Thanks @sphuber !

Two questions from browsing through quickly would be:

• why not include the caching configuration in the output of verdi profile show as we are anyhow planning to merge the caching configuration into the configuration file?
• for the new fixtures for creating profiles: can we try to reuse somehow this context manager?
  

  aiida-core/tests/utils/configuration.py

  Line 47 in e4c7fb5

  def temporary_config_instance():

I'll give a proper review next week

[sphuber]

* why not include the caching configuration in the output of `verdi profile show` as we are anyhow planning to merge the caching configuration into the configuration file?

My thinking is that at some point we want to add an endpoint to also modify the caching from the interface. I though of verdi config but its interface doesn't support what we'd need for the config, so I thought the best place was verdi profile caching. Glad to have input if you think of a better place. Didn't think it deserved a top-level command group in any case. Could be wrong though.

* for the new fixtures for creating profiles: can we try to reuse somehow this context manager?
  https://github.com/aiidateam/aiida-core/blob/e4c7fb51c44cb260c4f983f3bdd0a54688659901/tests/utils/configuration.py#L47

See the commit and PR message. The tests using it should actually be refactored to pytest in which case they should use this new fixture instead. Had already opened an issue for this refactoring.

I'll give a proper review next week

Thanks a lot!

[chrisjsewell]

I though of verdi config but its interface doesn't support what we'd need for the config

I think ideally this should go in verdi config. As mentioned in #4260 (comment), I think we are arbitrarily limiting the config interface by trying to mirror exactly git config.

[codecov]

Codecov Report

Merging #4245 into develop will increase coverage by 0.03%.
The diff coverage is 92.00%.

@@             Coverage Diff             @@
##           develop    #4245      +/-   ##
===========================================
+ Coverage    79.18%   79.20%   +0.03%     
===========================================
  Files          468      468              
  Lines        34476    34513      +37     
===========================================
+ Hits         27295    27333      +38     
+ Misses        7181     7180       -1     

Flag	Coverage Δ
#django	71.13% <92.00%> (+0.04%)	⬆️
#sqlalchemy	71.96% <92.00%> (+0.04%)	⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
aiida/manage/caching.py	98.12% <90.33%> (-1.17%)	⬇️
aiida/cmdline/commands/cmd_profile.py	87.70% <94.74%> (+4.72%)	⬆️
aiida/manage/configuration/config.py	92.66% <0.00%> (+0.57%)	⬆️
aiida/cmdline/utils/defaults.py	85.72% <0.00%> (+14.29%)	⬆️

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[ltalirz]

I agree with @chrisjsewell that it would be nice to come to an agreement on what the role of the verdi profile vs verdi config commands should be going forward (this also ties into #4243 ).

I could well imagine having verdi config as an API for modifying the config.json file (possibly starting just with things like caching etc.), while verdi profile as the commands that perform additional actions, such as populating the database with tables or creating the db in the first place.

[chrisjsewell]

note I've made an issue for discussing verdi config (with a proposal) #4584

[chrisjsewell]

FYI this PR is now superceded by #4712 😜

[ltalirz]

Then let's close this