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dots in job names fails for GenericMaster jobs #1029

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jan-janssen opened this issue Feb 9, 2023 · 1 comment · Fixed by #1030
Closed

dots in job names fails for GenericMaster jobs #1029

jan-janssen opened this issue Feb 9, 2023 · 1 comment · Fixed by #1030
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@jan-janssen
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This works:

import os
from pyiron_atomistics import Project
pr = Project("test")
job = pr.create.job.Lammps("lmp1.2")
job.structure = pr.create.structure.ase.bulk("Al", cubic=True)
job.run()
os.listdir(os.path.dirname(job.project_hdf5.file_name))
>>> ['lmp1d2_hdf5', 'lmp1d2.h5']

But this fails:

import os
from pyiron_atomistics import Project
pr = Project("test")
pr.remove_jobs(recursive=True, silently=True)
job = pr.create.job.Lammps("lmp1.2")
job.structure = pr.create.structure.ase.bulk("Al", cubic=True)
murn = job.create_job(pr.job_type.Murnaghan, "murn1.2")
murn.run()
os.listdir(os.path.dirname(murn.project_hdf5.file_name))
>>> ['murn1d2_hdf5', 'murn1.2.h5']

The expected output would be:

>>> ['murn1d2_hdf5', 'murn1d2.h5']
@jan-janssen
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The bug was introduced in #561

@jan-janssen jan-janssen linked a pull request Feb 9, 2023 that will close this issue
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2 participants