From 9c755a3f8bc3c40b3a76eeece4d2bfb55ae544c8 Mon Sep 17 00:00:00 2001
From: Jason Munro <jmunro@lbl.gov>
Date: Tue, 31 Oct 2023 16:55:57 -0700
Subject: [PATCH] Nested elasticity summary fix (#878)

* Fix elasticity query_ops

* Remove elasticity sub key in summary

* Fix elasticity tests

* Linting

* Fix elasticity import

* Fix nested elasticity data in summary

* More nested summary fixes

* Linting
---
 .../emmet/builders/materials/summary.py       |  2 +-
 emmet-core/emmet/core/summary.py              | 38 ++++++++-----------
 2 files changed, 17 insertions(+), 23 deletions(-)

diff --git a/emmet-builders/emmet/builders/materials/summary.py b/emmet-builders/emmet/builders/materials/summary.py
index 1b7d5550ef..a923539fbf 100644
--- a/emmet-builders/emmet/builders/materials/summary.py
+++ b/emmet-builders/emmet/builders/materials/summary.py
@@ -216,7 +216,7 @@ def prechunk(self, number_splits: int):  # pragma: no cover
     def process_item(self, item):
         material_id = MPID(item[HasProps.materials.value]["material_id"])
         doc = SummaryDoc.from_docs(material_id=material_id, **item)
-        return jsanitize(doc.dict(exclude_none=False), allow_bson=True)
+        return jsanitize(doc.model_dump(exclude_none=False), allow_bson=True)
 
     def update_targets(self, items):
         """
diff --git a/emmet-core/emmet/core/summary.py b/emmet-core/emmet/core/summary.py
index 841d63bbad..0483db0328 100644
--- a/emmet-core/emmet/core/summary.py
+++ b/emmet-core/emmet/core/summary.py
@@ -309,28 +309,26 @@ class SummaryDoc(PropertyDoc):
 
     # Elasticity
 
-    k_voigt: Optional[float] = Field(
-        None, description="Voigt average of the bulk modulus."
-    )
+    # k_voigt: Optional[float] = Field(None, description="Voigt average of the bulk modulus.")
 
-    k_reuss: Optional[float] = Field(
-        None, description="Reuss average of the bulk modulus in GPa."
-    )
+    # k_reuss: Optional[float] = Field(None, description="Reuss average of the bulk modulus in GPa.")
 
-    k_vrh: Optional[float] = Field(
-        None, description="Voigt-Reuss-Hill average of the bulk modulus in GPa."
-    )
+    # k_vrh: Optional[float] = Field(None, description="Voigt-Reuss-Hill average of the bulk modulus in GPa.")
 
-    g_voigt: Optional[float] = Field(
-        None, description="Voigt average of the shear modulus in GPa."
-    )
+    # g_voigt: Optional[float] = Field(None, description="Voigt average of the shear modulus in GPa.")
 
-    g_reuss: Optional[float] = Field(
-        None, description="Reuss average of the shear modulus in GPa."
+    # g_reuss: Optional[float] = Field(None, description="Reuss average of the shear modulus in GPa.")
+
+    # g_vrh: Optional[float] = Field(None, description="Voigt-Reuss-Hill average of the shear modulus in GPa.")
+
+    bulk_modulus: Optional[dict] = Field(
+        None,
+        description="Voigt, Reuss, and Voigt-Reuss-Hill averages of the bulk modulus in GPa.",
     )
 
-    g_vrh: Optional[float] = Field(
-        None, description="Voigt-Reuss-Hill average of the shear modulus in GPa."
+    shear_modulus: Optional[dict] = Field(
+        None,
+        description="Voigt, Reuss, and Voigt-Reuss-Hill averages of the shear modulus in GPa.",
     )
 
     universal_anisotropy: Optional[float] = Field(
@@ -513,12 +511,8 @@ def from_docs(cls, material_id: MPID, **docs: Dict[str, Dict]):
         "is_magnetic",
     ],
     HasProps.elasticity.value: [
-        "k_voigt",
-        "k_reuss",
-        "k_vrh",
-        "g_voigt",
-        "g_reuss",
-        "g_vrh",
+        "bulk_modulus",
+        "shear_modulus",
         "universal_anisotropy",
         "homogeneous_poisson",
     ],