Update molecules doc import (#598)

* Update materials doc import * Bump emmet core * Update emmet core in setup * Linting * Re-order reqs * Reorder * Bump emmet * Fix emmet core version in setup * xfail temp
materialsproject · May 11, 2022 · 6e4da02 · 6e4da02
1 parent 89de344
commit 6e4da02
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Showing 4 changed files with 4 additions and 3 deletions.
diff --git a/requirements.txt b/requirements.txt
@@ -1,9 +1,9 @@
+emmet-core==0.26.2
 pydantic>=1.8.2
 pymatgen>=2022.3.7
 typing-extensions==4.1.1
 maggma==0.46.0
 requests==2.27.1
 monty==2022.3.12
-emmet-core==0.24.1
 mpcontribs-client>=4.2.9
 
diff --git a/setup.py b/setup.py
@@ -28,7 +28,7 @@
         "typing-extensions>=3.7.4.1",
         "requests>=2.23.0",
         "monty>=2021.3.12",
-        "emmet-core>=0.24.1",
+        "emmet-core>=0.26.2",
         "maggma>=0.46.0",
         "mpcontribs-client",
     ],

diff --git a/src/mp_api/routes/molecules.py b/src/mp_api/routes/molecules.py
@@ -4,7 +4,7 @@
 from pymatgen.core.periodic_table import Element
 
 from mp_api.core.client import BaseRester
-from emmet.core.molecules import MoleculesDoc
+from emmet.core.molecules_old import MoleculesDoc
 
 
 class MoleculesRester(BaseRester[MoleculesDoc]):

diff --git a/tests/test_mprester.py b/tests/test_mprester.py
@@ -207,6 +207,7 @@ def test_get_phonon_data_by_material_id(self, mpr):
         dos = mpr.get_phonon_dos_by_material_id("mp-11659")
         assert isinstance(dos, PhononDos)
 
+    @pytest.mark.xfail(reason="SSL issue")
     def test_get_charge_density_data(self, mpr):
         chgcar = mpr.get_charge_density_from_material_id("mp-149")
         assert isinstance(chgcar, Chgcar)