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Merge pull request #1365 from pyiron/pyiron_base
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Update pyiron_base to 0.7.12
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jan-janssen committed Mar 26, 2024
2 parents 0554fc8 + 29f8d93 commit 566f736
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Showing 3 changed files with 5 additions and 5 deletions.
2 changes: 1 addition & 1 deletion .ci_support/environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@ dependencies:
- pandas =2.2.1
- phonopy =2.22.0
- pint =0.23
- pyiron_base =0.7.11
- pyiron_base =0.7.12
- pylammpsmpi =0.2.15
- pyscal =2.10.18
- scikit-learn =1.4.1.post1
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2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -35,7 +35,7 @@ dependencies = [
"pandas==2.2.1",
"phonopy==2.22.0",
"pint==0.23",
"pyiron_base==0.7.11",
"pyiron_base==0.7.12",
"pylammpsmpi==0.2.15",
"scipy==1.12.0",
"scikit-learn==1.4.1.post1",
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6 changes: 3 additions & 3 deletions tests/vasp/test_vasp.py
Original file line number Diff line number Diff line change
Expand Up @@ -365,7 +365,7 @@ def test_run_complete(self):
job_chg_den = self.job_complete.restart_from_charge_density(job_name="chg")
self.assertEqual(job_chg_den.structure, self.job_complete.get_structure(-1))
self.assertTrue(
os.path.join(self.job_complete.working_directory, "CHGCAR")
posixpath.join(self.job_complete.working_directory, "CHGCAR")
in job_chg_den.restart_file_list
)

Expand All @@ -380,11 +380,11 @@ def check_group_is_empty(example_job, group_name):
)
self.assertEqual(job_chg_wave.structure, self.job_complete.get_structure(-1))
self.assertTrue(
os.path.join(self.job_complete.working_directory, "WAVECAR")
posixpath.join(self.job_complete.working_directory, "WAVECAR")
in job_chg_wave.restart_file_list
)
self.assertTrue(
os.path.join(self.job_complete.working_directory, "CHGCAR")
posixpath.join(self.job_complete.working_directory, "CHGCAR")
in job_chg_wave.restart_file_list
)
for key, val in job_chg_wave.restart_file_dict.items():
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