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Description
Notice three issues for ext.matproj
(or its tests):
-
PMG_MAPI_KEY
might not have been set correctly:SKIPPED [1] tests/ext/test_matproj.py:15: PMG_MAPI_KEY not set
- There is
DeprecationWarning
:pymatgen/src/pymatgen/ext/matproj.py
Lines 379 to 385 in f01009c
if set(kwargs.keys()).intersection({"inc_structure", "conventional_unit_cell", "sort_by_e_above_hull"}): warnings.warn( "The inc_structure, conventional_unit_cell, and sort_by_e_above_hull arguments are deprecated. " "These arguments have no effect and will be removed in 2026.1.1.", DeprecationWarning, stacklevel=2, )
but it appears to me at leastconventional_unit_cell
still have effect (not sure about others), e.g.pymatgen/tests/ext/test_matproj.py
Line 138 in f01009c
entry = mprester.get_entry_by_material_id("mp-23", inc_structure=True, conventional_unit_cell=True) - Trying to run tests for
tests/ext/test_matproj.py::test_api_parity
locally (with correctPMG_MAPI_KEY
) gives:
pymatgen.ext.matproj.MPRestError: No module named 'pymatgen.analysis.alloys'
, looks a bit similar tompr.materials.grain_boundaries
throws:ModuleNotFoundError: No module named 'pymatgen.analysis.gb'
api#991? Update: looks like need to installpymatgen-analysis-alloys
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