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Vasp test - replace posixpath with os.path #1564

Merged
merged 14 commits into from
Sep 16, 2024
Merged

Vasp test - replace posixpath with os.path #1564

merged 14 commits into from
Sep 16, 2024

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jan-janssen
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coveralls commented Sep 15, 2024

Pull Request Test Coverage Report for Build 10878010376

Details

  • 2 of 7 (28.57%) changed or added relevant lines in 2 files are covered.
  • 2 unchanged lines in 1 file lost coverage.
  • Overall coverage remained the same at 70.897%

Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/vasp/base.py 0 5 0.0%
Files with Coverage Reduction New Missed Lines %
pyiron_atomistics/vasp/base.py 2 61.94%
Totals Coverage Status
Change from base Build 10874191518: 0.0%
Covered Lines: 10777
Relevant Lines: 15201

💛 - Coveralls

@jan-janssen
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======================================================================
ERROR: setUpClass (vasp.test_vasp.TestVasp)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "D:\a\pyiron_atomistics\pyiron_atomistics\tests\vasp\test_vasp.py", line 56, in setUpClass
    cls.job_complete.structure = read_atoms(poscar_file, species_from_potcar=True)
                                 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\a\pyiron_atomistics\pyiron_atomistics\pyiron_atomistics\vasp\structure.py", line 47, in read_atoms
    species_list = get_species_list_from_potcar(potcar_file)
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\a\pyiron_atomistics\pyiron_atomistics\pyiron_atomistics\vasp\structure.py", line 73, in get_species_list_from_potcar
    with open(filename) as potcar_file:
         ^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: '/POTCAR'

----------------------------------------------------------------------

@jan-janssen jan-janssen marked this pull request as draft September 15, 2024 21:38
@jan-janssen
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======================================================================
FAIL: test_run_complete (vasp.test_vasp.TestVasp.test_run_complete)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "D:\a\pyiron_atomistics\pyiron_atomistics\tests\vasp\test_vasp.py", line 431, in test_run_complete
    self.assertTrue(
AssertionError: False is not true
----------------------------------------------------------------------

@jan-janssen
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restart_file_list: ['D:/a/pyiron_atomistics/pyiron_atomistics/tests/vasp/test_vasp/vasp_complete_hdf5/vasp_complete/CHGCAR']
test_file: D:\a\pyiron_atomistics\pyiron_atomistics\tests\vasp\test_vasp\vasp_complete_hdf5\vasp_complete\CHGCAR

@jan-janssen jan-janssen marked this pull request as ready for review September 16, 2024 05:39
@jan-janssen jan-janssen merged commit 7c7d6b2 into main Sep 16, 2024
24 checks passed
@jan-janssen jan-janssen deleted the remove_posixpath branch September 16, 2024 05:39
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