[minor] Opt in hash for pythonfunction

[liamhuber]

This changes the default behaviour of PythonFunctionContainerJob to not automatically rename jobs at save time; Project.wrap_python_function still does by default, but it's now optionally exposed as a flag.

This extends and polishes the ideas in #1356, but I wanted to break it apart separately since changing the default behaviour for the job class probably makes this a minor bump instead of a patch bump.

[liamhuber]

This percolated through the day, and I realized that in the wrapper function it would be much nicer to expose job_name: Optional[str] = None than the Boolean flag. Default would still be exactly the function name and input hash, but there's no reason to stop people from assigning a specific job name they want!

There's no time pressure for this PR, so I'll polish it on Monday.

[liamhuber]

This percolated through the day, and I realized that in the wrapper function it would be much nicer to expose job_name: Optional[str] = None than the Boolean flag. Default would still be exactly the function name and input hash, but there's no reason to stop people from assigning a specific job name they want!

There's no time pressure for this PR, so I'll polish it on Monday.

Tuesday, but anyhow done. You can force the wrapped job to have exactly the name you want like:

job = pr.wrap_python_function(
    some_function,
    job_name="my_job",  # Overrides default of using function name
    automatically_rename=False,  # Stops name mangling with input at save time
)

[jan-janssen]

Looks good to me

[liamhuber]

Looks good to me

Super! I'm just adding a bit to the tests to improve coverage -- most of the codacy report is somehow catching old stuff that has nothing to do with this PR, but they did find a relevant branch of an if-clause that should get a quick test.

[liamhuber]

Ok, so maybe this branch is honestly not doing what I hoped it would do. This is exactly #1367 cropping up, and I thought this clause stopped it.

ValueError: job name 'my_function' in this project 'tests/flex/test_pythonfunctioncontainer/' is not unique '[{'id': 8, 'parentid': None, 'masterid': None, 'projectpath': '/home/runner/work/pyiron_base/pyiron_base/', 'project': 'tests/flex/test_pythonfunctioncontainer/', 'job': 'my_function', 'subjob': '/my_function', 'chemicalformula': None, 'status': 'created', 'hamilton': 'PythonFunctionContainerJob', 'hamversion': '0.4', 'username': 'pyiron', 'computer': 'pyiron@fv-az575-929#1', 'timestart': datetime.datetime(2024, 3, 7, 17, 52, 55, 710069), 'timestop': None, 'totalcputime': None}, {'id': 9, 'parentid': None, 'masterid': None, 'projectpath': '/home/runner/work/pyiron_base/pyiron_base/', 'project': 'tests/flex/test_pythonfunctioncontainer/', 'job': 'my_function', 'subjob': '/my_function', 'chemicalformula': None, 'status': 'created', 'hamilton': 'PythonFunctionContainerJob', 'hamversion': '0.4', 'username': 'pyiron', 'computer': 'pyiron@fv-az575-929#1', 'timestart': datetime.datetime(2024, 3, 7, 17, 52, 55, 762810), 'timestop': None, 'totalcputime': None}]

[liamhuber]

Ahhh, right, this is actually perfectly sensible. The "don't save again if you find this job" clause is nested inside the if self._automatically_rename_on_save_using_input, but I was testing it when the name was not being automatically changed so of course it got missed!

Since the consensus in #1367 seems to be that we want all jobs to have this protection, I'll just de-indent the clause here so (as a start) this job always has the protection.

Apart from making the coverage number better, this was actually my motivation for adding the test to start with -- I anticipate this snippet getting promoted so I wanted a test that could be pulled along with it.