Fix MPRester tests and access phonon properties from the new API without having mp-api installed. (#3950)

Author: AntObi

src/pymatgen/ext/matproj.py

@@ -178,7 +178,7 @@ def get_summary_by_material_id(self, material_id: str, fields: list | None = Non
             Dict
         """
         get = "_all_fields=True" if fields is None else "_fields=" + ",".join(fields)
-        return self.request(f"materials/summary/{material_id}/?{get}")[0]
+        return self.request(f"materials/summary/?{get}", payload={"material_ids": material_id})[0]
 
     get_doc = get_summary_by_material_id
 
@@ -349,6 +349,32 @@ def get_entries_in_chemsys(self, elements, *args, **kwargs):
 
         return self.get_entries(criteria, *args, **kwargs)
 
+    def get_phonon_bandstructure_by_material_id(self, material_id: str):
+        """Get phonon bandstructure by material_id.
+
+        Args:
+            material_id (str): Materials Project material_id
+
+        Returns:
+            PhononBandStructureSymmLine: A phonon band structure.
+        """
+        prop = "ph_bs"
+        response = self.request(f"materials/phonon/?material_ids={material_id}&_fields={prop}")
+        return response[0][prop]
+
+    def get_phonon_dos_by_material_id(self, material_id: str):
+        """Get phonon density of states by material_id.
+
+        Args:
+            material_id (str): Materials Project material_id
+
+        Returns:
+            CompletePhononDos: A phonon DOS object.
+        """
+        prop = "ph_dos"
+        response = self.request(f"materials/phonon/?material_ids={material_id}&_fields={prop}")
+        return response[0][prop]
+
 
 class MPRester:
     """A class to conveniently interface with the new and legacy Materials Project REST interface.

tests/ext/test_matproj.py

@@ -16,23 +16,28 @@
 from pymatgen.electronic_structure.dos import CompleteDos
 from pymatgen.entries.compatibility import MaterialsProject2020Compatibility
 from pymatgen.entries.computed_entries import ComputedEntry
-from pymatgen.ext.matproj import MP_LOG_FILE, MPRestError, _MPResterBasic
-from pymatgen.ext.matproj_legacy import TaskType, _MPResterLegacy
+from pymatgen.ext.matproj import MP_LOG_FILE, _MPResterBasic
+from pymatgen.ext.matproj_legacy import MPRestError, TaskType, _MPResterLegacy
 from pymatgen.phonon.bandstructure import PhononBandStructureSymmLine
 from pymatgen.phonon.dos import CompletePhononDos
 from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
 from pytest import approx
 from ruamel.yaml import YAML
 
+PMG_MAPI_KEY = SETTINGS.get("PMG_MAPI_KEY", "")
+if (10 < len(PMG_MAPI_KEY) <= 20) and "PMG_MAPI_KEY" in SETTINGS:
+    MP_URL = "https://legacy.materialsproject.org"
+elif len(PMG_MAPI_KEY) > 20:
+    MP_URL = "https://api.materialsproject.org"
+else:
+    MP_URL = "https://materialsproject.org"
 try:
-    skip_mprester_tests = requests.get("https://materialsproject.org", timeout=600).status_code != 200
+    skip_mprester_tests = requests.get(MP_URL, timeout=600).status_code != 200
 
 except (ModuleNotFoundError, ImportError, requests.exceptions.ConnectionError):
     # Skip all MPRester tests if some downstream problem on the website, mp-api or whatever.
     skip_mprester_tests = True
 
-PMG_MAPI_KEY = SETTINGS.get("PMG_MAPI_KEY", "")
-
 
 @pytest.mark.skipif(
     skip_mprester_tests or (not 10 < len(PMG_MAPI_KEY) <= 20),
@@ -513,8 +518,8 @@ def test_api_key_is_none(self):
     skip_mprester_tests or (not len(PMG_MAPI_KEY) > 20),
     reason="PMG_MAPI_KEY environment variable not set or MP API is down.",
 )
-class TestMPResterNewBasic:
-    def setup(self):
+class TestMPResterNewBasic(PymatgenTest):
+    def setUp(self):
         self.rester = _MPResterBasic()
 
     def test_get_summary(self):
@@ -679,11 +684,12 @@ def test_get_entry_by_material_id(self):
     #     assert isinstance(bs_unif, BandStructure)
     #     assert not isinstance(bs_unif, BandStructureSymmLine)
     #
-    # def test_get_phonon_data_by_material_id(self):
-    #     bs = self.rester.get_phonon_bandstructure_by_material_id("mp-661")
-    #     assert isinstance(bs, PhononBandStructureSymmLine)
-    #     dos = self.rester.get_phonon_dos_by_material_id("mp-661")
-    #     assert isinstance(dos, CompletePhononDos)
+    def test_get_phonon_data_by_material_id(self):
+        bs = self.rester.get_phonon_bandstructure_by_material_id("mp-661")
+        assert isinstance(bs, PhononBandStructureSymmLine)
+        dos = self.rester.get_phonon_dos_by_material_id("mp-661")
+        assert isinstance(dos, CompletePhononDos)
+
     #     ddb_str = self.rester.get_phonon_ddb_by_material_id("mp-661")
     #     assert isinstance(ddb_str, str)