add wrap_executable() function to project

[jan-janssen]

This pull request introduces the wrap_executable() function to the project class in analogy to the wrap_python_function():

def write_input(input_dict, working_directory="."):
    with open(os.path.join(working_directory, "input_file"), "w") as f:
        f.write(str(input_dict["energy"]))


def collect_output(working_directory="."):
    with open(os.path.join(working_directory, "output_file"), "r") as f:
        return {"energy": float(f.readline())}


from pyiron_base import Project
pr = Project("test")
job = pr.wrap_executable(
    job_name="Cat_Job_energy_1_0",
    write_input_funct=write_input,
    collect_output_funct=collect_output,
    input_dict={"energy": 1.0},
    executable_str="cat input_file > output_file",
    execute_job=True,
)
print(job.output)

[jan-janssen]

Example usecase https://github.com/pyiron-dev/NFDI4Ing_pyiron_base/blob/main/job_steps.ipynb

[samwaseda]

Where is the actual run defined?

[samwaseda]

Sorry I meant conda run

[jan-janssen]

Where is the actual run defined?

This was handled in a separate pull request #1315

[jan-janssen]

The pull request is ready for review again.