update commensurate with emmet pr

Author: esoteric-ephemera

.gemini/settings.json

@@ -0,0 +1,19 @@
+{
+  "mcpServers": {
+    "Materials_Project_MCP": {
+      "command": "uv",
+      "args": [
+        "run",
+        "--project",
+        "/Users/aaronkaplan/Library/CloudStorage/Dropbox/mp_soft_engr/software/mp_api",
+        "--with",
+        "fastmcp",
+        "--with-requirements",
+        "/Users/aaronkaplan/Library/CloudStorage/Dropbox/mp_soft_engr/software/mp_api/requirements/requirements-ubuntu-latest_py3.12_extras.txt",
+        "fastmcp",
+        "run",
+        "/Users/aaronkaplan/Library/CloudStorage/Dropbox/mp_soft_engr/software/mp_api/mp_api/mcp/server.py"
+      ]
+    }
+  }
+}

mp_api/client/routes/materials/similarity.py

@@ -1,9 +1,12 @@
 from __future__ import annotations
 
+import zlib
 from typing import TYPE_CHECKING
 
+import numpy as np
 from emmet.core.mpid import MPID, AlphaID
 from emmet.core.similarity import CrystalNNSimilarity, SimilarityDoc, SimilarityEntry
+from pymatgen.core import Composition
 
 from mp_api.client.core import BaseRester, MPRestError
 from mp_api.client.core.utils import validate_ids
@@ -101,7 +104,12 @@ def find_similar(
             feature_vector = self.fingerprinter(structure_or_mpid)
 
         result = self._query_resource(
-            criteria={"feature_vector": feature_vector, "_limit": chunk_size},
+            criteria={
+                "feature_vector_hex": zlib.compress(
+                    np.array(feature_vector).tobytes()
+                ).hex(),
+                "_limit": chunk_size,
+            },
             suburl="match",
             use_document_model=False,  # Return type is not exactly a SimilarityDoc, closer to SimilarityEntry
             chunk_size=chunk_size,
@@ -117,6 +125,7 @@ def find_similar(
             {
                 "formula": entry["formula_pretty"],
                 "task_id": entry["material_id"],
+                "nelements": len(Composition(entry["formula_pretty"]).elements),
                 "dissimilarity": 100 * (1.0 - entry["score"]),
             }
             for entry in result

requirements/requirements-ubuntu-latest_py3.11.txt

@@ -24,7 +24,7 @@ contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-emmet-core==0.86.0
+emmet-core==0.86.2rc0
     # via mp-api (pyproject.toml)
 fonttools==4.60.1
     # via matplotlib

requirements/requirements-ubuntu-latest_py3.11_extras.txt

@@ -62,7 +62,7 @@ dnspython==2.8.0
     #   pymongo
 docutils==0.21.2
     # via sphinx
-emmet-core[all]==0.86.0
+emmet-core[all]==0.86.2rc0
     # via mp-api (pyproject.toml)
 execnet==2.1.1
     # via pytest-xdist

requirements/requirements-ubuntu-latest_py3.12.txt

@@ -24,7 +24,7 @@ contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-emmet-core==0.86.0
+emmet-core==0.86.2rc0
     # via mp-api (pyproject.toml)
 fonttools==4.60.1
     # via matplotlib

requirements/requirements-ubuntu-latest_py3.12_extras.txt

@@ -62,7 +62,7 @@ dnspython==2.8.0
     #   pymongo
 docutils==0.21.2
     # via sphinx
-emmet-core[all]==0.86.0
+emmet-core[all]==0.86.2rc0
     # via mp-api (pyproject.toml)
 execnet==2.1.1
     # via pytest-xdist