FAILED test_imports.py::test_imports - pytest.PytestRemovedIn8Warning: Passing None has been deprecated.
FAILED test_units.py::test_units[2002] - assert None is not None
FAILED test_units.py::test_units[2006] - assert None is not None
FAILED test_units.py::test_units[2010] - assert None is not None
FAILED test_units.py::test_units[2014] - assert None is not None
FAILED calculator/castep/test_castep_interface.py::test_fundamental_params - pytest.PytestRemovedIn8Warning: …
=========== 6 failed, 1694 passed, 263 skipped, 2 xfailed, 2 xpassed, 4 warnings in 63.50s (0:01:03) ===========
Hello guys. i got these for ase test after installation in linux ubuntu. i would appriciate if you could help me solve those failures.
Best regards.
Amir Arjmand
Hi Amir, most likely these are library version issues. For example warnings from recent version of pytest about a deprecated feature. You can probably ignore these.
Hi, dear
What about errors.
At first I have ignored these errors. However, there are problems when I try to work with ase tutorials…
can you help me?
========================================================= short test summary info ==========================================================
FAILED calculator/castep/test_castep_interface.py::test_fundamental_params - pytest.PytestRemovedIn8Warning: Passing None has been deprecated.
FAILED test_imports.py::test_imports - pytest.PytestRemovedIn8Warning: Passing None has been deprecated.
FAILED cli/test_bandstructure.py::test_ase_bandstructure - assert (1 != 0) == False
FAILED db/test_db_web.py::test_favicon - AssertionError: assert 204 == 308
FAILED neb/test_shared_calculator_neb.py::TestNEB::test_deprecations - FloatingPointError: invalid value encountered in divide
FAILED optimize/test_optimizers.py::test_optimize[LBFGSLineSearch] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[LBFGSLineSearch] returned (0.009183383…
FAILED optimize/test_optimizers.py::test_optimize[SciPyFminCG] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[SciPyFminCG] returned (0.0033775467242…
FAILED optimize/test_optimizers.py::test_optimize[BFGSLineSearch] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[BFGSLineSearch] returned (0.0048018443…
FAILED optimize/test_optimizers.py::test_optimize[SciPyFminBFGS] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[SciPyFminBFGS] returned (0.00304802043…
FAILED optimize/test_optimizers.py::test_optimize[BFGS] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[BFGS] returned (0.0033849905391899002,…
FAILED optimize/test_optimizers.py::test_optimize[PreconLBFGS] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[PreconLBFGS] returned (0.0082753281792…
FAILED optimize/test_optimizers.py::test_optimize[GoodOldQuasiNewton] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[GoodOldQuasiNewton] returned (0.005943…
FAILED optimize/test_optimizers.py::test_optimize[GPMin] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[GPMin] returned (0.007148373658235535,…
FAILED optimize/test_optimizers.py::test_optimize[ODE12r] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[ODE12r] returned (0.00414258795341989,…
FAILED optimize/test_optimizers.py::test_optimize[PreconODE12r] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[PreconODE12r] returned (0.009655694220…
FAILED optimize/test_optimizers.py::test_optimize[PreconFIRE] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[PreconFIRE] returned (0.00998322664481…
FAILED optimize/test_optimizers.py::test_optimize[MDMin] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[MDMin] returned (0.009165832814216271,…
FAILED optimize/test_optimizers.py::test_optimize[FIRE] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[FIRE] returned (0.009298580297490668, …
FAILED optimize/test_optimizers.py::test_optimize[LBFGS] - pytest.PytestReturnNotNoneWarning: Expected None, but optimize/test_optimizers.py::test_optimize[LBFGS] returned (0.0033849905392161947…
ERROR vibrations/test_vib.py::TestVibrationsData::test_init - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestHarmonicVibrations::test_vibrations_restart_dir - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestHarmonicVibrations::test_harmonic_vibrations - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestHarmonicVibrations::test_consistency_with_vibrationsdata - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestHarmonicVibrations::test_vibrations_methods - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_energies_and_modes - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_new_mass - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestHarmonicVibrations::test_json_manipulation - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_pdos - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_dict_indices[None-expected_mask1] - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_zero_mass - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_dos - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_imaginary_energies - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_fixed_atoms - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_todict - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_dict_indices[indices0-expected_mask0] - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_jmol_roundtrip - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_dict_roundtrip - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_bad_hessian - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
ERROR vibrations/test_vib.py::TestVibrationsData::test_bad_hessian2d - pytest.PytestRemovedIn8Warning: Support for nose tests is deprecated and will be removed in a future release.
======================= 19 failed, 1668 passed, 257 skipped, 3 xfailed, 1 xpassed, 18 warnings, 20 errors in 45.28s ========================
I am having the same issue, would you please provide more details on how to trouble shoot and potentially fix this issue? Trying to access ase.calculators.calculator function , but cannot call to the functions without having the source code of the calculators.