| Patch | Description | Author | Forwarded | Bugs | Origin | Last update |
|---|---|---|---|---|---|---|
| skip_failing_WulffShapeTest.patch | =================================================================== | no | ||||
| docs_no_local_python.patch | =================================================================== | no | ||||
| test_lammps_regex_path.patch | =================================================================== | no | ||||
| docs_mathjax_local.patch | =================================================================== | no | ||||
| numpy_1.24.patch | =================================================================== | no | ||||
| test_piezo_4538090.patch | [PATCH] Remove an inadvertent additional 0.0 This now failed tests due to numpy change and deprecation (see https://numpy.org/neps/nep-0034-infer-dtype-is-object.html), it seems like the `vasp_matrix` was mistakenly initialized with an additional 0.0. Tagging @dongsenfo who added this line in case I have misinterpreted. |
Matthew Horton <mkhorton@users.noreply.github.com> | no | 2022-12-19 | ||
| test_piezo_sensitivity_99b5cd7.patch | [PATCH] fix PiezoSensitivityTest.test_get_BEC_operations() and test_get_FCM_operations() def test_get_BEC_operations(self): bec = BornEffectiveCharge(self.piezo_struc, self.BEC, self.pointops) bec.get_BEC_operations() > assert np.all(self.BEC_operations == bec.BEC_operations) E assert False E + where False = <function all at 0x7f9770be21f0>(array([[0, 0,... dtype=object) == [[0, 0, [Rot:...0. 0.]]], ...] E + where <function all at 0x7f9770be21f0> = np.all E Full diff: E + array([[0, 0, list([Rot: E + [[1. 0. 0.] E + [0. 1. 0.] E + [0. 0. 1.]] E + tau E + [0. 0. 0.], Rot: also fix unknown mypy implicit_optional (only no_implicit_optional known) |
Janosh Riebesell <janosh.riebesell@gmail.com> | no | 2023-01-05 | ||
| openbabel_OBAlign.patch | =================================================================== | no | ||||
| test_lammps_sorted.patch | =================================================================== | no | ||||
| skip_nonfree_testfile.patch | =================================================================== | no | ||||
| fix_phonon_bandstructures_7ba41e0.patch | [PATCH] maybe fix PhonopyParserTest.test_get_ph_bs() > self.nac_frequencies = np.array(naf) E ValueError: setting an array element with a sequence. The requested array has an inhomogeneous shape after 2 dimensions. The detected shape was (3, 2) + inhomogeneous part. /home/runner/work/pymatgen/pymatgen/pymatgen/phonon/bandstructure.py:419: ValueError |
Janosh Riebesell <janosh.riebesell@gmail.com> | no | 2023-01-04 | ||
| stress_fp_approx_2839.patch | =================================================================== | no | ||||
| no_mp_api.patch | =================================================================== | no |