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Scriptjob implement calculate() function #1480

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merged 25 commits into from
Jun 20, 2024

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@jan-janssen jan-janssen commented Jun 12, 2024

Implement calculate() function for ScriptJob:

calculate_function = job.generate_calculate_function()
kwargs = job.generate_calculate_function_kwargs()
shell_output, parsed_output, job_crashed = calculate_function(**kwargs)

@jan-janssen jan-janssen marked this pull request as draft June 12, 2024 11:43
Base automatically changed from scriptjob_get_input_file_dict to main June 17, 2024 19:50
@jan-janssen jan-janssen changed the base branch from main to executablecontainer_runstatic June 17, 2024 19:50
@jan-janssen jan-janssen marked this pull request as ready for review June 17, 2024 20:03
@jan-janssen
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@samwaseda Can you take a look at this pull request? I would like to merge it before releasing the new pyiron_base version.

@jan-janssen jan-janssen added the format_black reformat the code using the black standard label Jun 20, 2024
@jan-janssen jan-janssen merged commit df85bc1 into executablecontainer_runstatic Jun 20, 2024
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@jan-janssen jan-janssen deleted the scriptjob_calculate branch June 20, 2024 07:23
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