Fix JobStoreDocument attribute access

[mjwen]

Summary

Fix the error:

  File "/home/atomate2/src/atomate2/cli/dev.py", line 58, in vasp_test_data
    if not isinstance(output["output"], TaskDoc):
                      ~~~~~~^^^^^^^^^^
TypeError: 'JobStoreDocument' object is not subscriptable

[codecov[bot]]

Codecov Report

Attention: 5 lines in your changes are missing coverage. Please review.

Comparison is base (e5ab301) 76.32% compared to head (57edfe6) 76.17%.

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #710      +/-   ##
==========================================
- Coverage   76.32%   76.17%   -0.16%     
==========================================
  Files          87       87              
  Lines        7164     7164              
  Branches     1057     1057              
==========================================
- Hits         5468     5457      -11     
- Misses       1373     1385      +12     
+ Partials      323      322       -1     

Files	Coverage Δ
src/atomate2/cli/dev.py	0.00% <0.00%> (ø)

... and 1 file with indirect coverage changes

[mjwen]

I was trying to add a test, and what I was doing is:

• run a vasp calculation
• add the job directory job_2024-02-10-... to the test data folder of atomate2 test
• run atm dev vasp-test-data dummy to test it

In dev.py, the directory to copy the VASP files is from outputs.json, and it is an absolute path. Because the vasp files are relocated from wherever they are generated to the test data folder, it won't work.

To make it work, we need to update dev.py to accept a new job dir e.g. from cli, not from outputs.json. This can be done by adding an optional switch (e.g. --job_dirs) to atm dev vasp-test-data.

@utf If you think this is a OK, I can add it. Otherwise, this PR is ready for review.

[utf]

Thanks!