Deprecate workdir path getter in favour of job.files

[pmrv]

See corresponding PR in base.

[coveralls]

Pull Request Test Coverage Report for Build 7901694464

Details

• 0 of 11 (100.0%) changed or added relevant lines in 4 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage decreased (-0.002%) to 93.148%

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Totals
Change from base Build 7898937283:	-0.002%
Covered Lines:	14151
Relevant Lines:	15192

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💛 - Coveralls

[jan-janssen]

======================================================================
ERROR: test_run_complete (vasp.test_vasp.TestVasp)
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Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/tests/vasp/test_vasp.py", line 405, in test_run_complete
    self.assertRaises(FileNotFoundError, job.restart_from_wave_functions, "wave_restart")
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/unittest/case.py", line 739, in assertRaises
    return context.handle('assertRaises', args, kwargs)
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/unittest/case.py", line 201, in handle
    callable_obj(*args, **kwargs)
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/vasp/base.py", line 1739, in restart_from_wave_functions
    new_ham.restart_file_list.append(self.files["WAVECAR"])
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/pyiron_base/jobs/job/extension/files.py", line 98, in __getitem__
    raise KeyError(item)
KeyError: 'WAVECAR'

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[jan-janssen]

======================================================================
FAIL: test_run_complete (vasp.test_vasp.TestVasp.test_run_complete)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "D:\a\pyiron_atomistics\pyiron_atomistics\tests\vasp\test_vasp.py", line 367, in test_run_complete
    self.assertTrue(
AssertionError: False is not true

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[jan-janssen]

I like the dot-notation more than the edge brackets, but that is just because it is a little shorter.

[jan-janssen]

While these separate checks are a bit annoying, if we do not do this it raises either a KeyError or an AttributeError both is not exactly what we want. We could think about changing this in pyiron_base.

[jan-janssen]

I implemented a suggestion in #1322 but this requires another pyiron_base release.

[jan-janssen]

Waiting for conda-forge/pyiron_base-feedstock#197

[jan-janssen]

@pmrv As the tests are passing now, I guess this is ready to be merged.