Merge branch 'main' of https://github.com/materialsproject/api

materialsproject · Oct 17, 2023 · 1845d1e · 1845d1e
2 parents f58511d + 9a971c2
commit 1845d1e
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Showing 25 changed files with 3,859 additions and 915 deletions.
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -6,24 +6,24 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.0.284
+    rev: v0.0.292
     hooks:
       - id: ruff
         args: [--fix, --show-fixes]
 
   - repo: https://github.com/psf/black
-    rev: 23.7.0
+    rev: 23.9.1
     hooks:
       - id: black
 
   - repo: https://github.com/asottile/blacken-docs
-    rev: "1.15.0"
+    rev: "1.16.0"
     hooks:
       - id: blacken-docs
         additional_dependencies: [black>=23.7.0]
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.4.0
+    rev: v4.5.0
     hooks:
       - id: check-case-conflict
       - id: check-symlinks
@@ -34,7 +34,7 @@ repos:
       - id: trailing-whitespace
 
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.2.4
+    rev: v2.2.6
     hooks:
       - id: codespell
         stages: [commit, commit-msg]

diff --git a/mp_api/client/core/client.py b/mp_api/client/core/client.py
@@ -842,7 +842,7 @@ def _submit_request_and_process(
                         data_model(
                             **{
                                 field: value
-                                for field, value in raw_doc.model_dump().items()
+                                for field, value in dict(raw_doc).items()
                                 if field in set_fields
                             }
                         )
@@ -876,9 +876,8 @@ def _submit_request_and_process(
             )
 
     def _generate_returned_model(self, doc):
-        set_fields = [
-            field for field, _ in doc if field in doc.model_dump(exclude_unset=True)
-        ]
+        set_fields = doc.model_fields_set
+
         unset_fields = [field for field in doc.model_fields if field not in set_fields]
 
         data_model = create_model(

diff --git a/mp_api/client/mprester.py b/mp_api/client/mprester.py
@@ -15,7 +15,7 @@
 from packaging import version
 from pymatgen.analysis.phase_diagram import PhaseDiagram
 from pymatgen.analysis.pourbaix_diagram import IonEntry
-from pymatgen.core import Element, Structure
+from pymatgen.core import SETTINGS, Element, Structure
 from pymatgen.core.ion import Ion
 from pymatgen.entries.computed_entries import ComputedStructureEntry
 from pymatgen.io.vasp import Chgcar
@@ -165,14 +165,17 @@ def __init__(
         headers (dict): Custom headers for localhost connections.
         mute_progress_bars (bool): Whether to mute progress bars.
         """
+        # SETTINGS tries to read API key from ~/.config/.pmgrc.yaml
+        api_key = api_key or DEFAULT_API_KEY or SETTINGS.get("PMG_MAPI_KEY")
+
         if api_key and len(api_key) != 32:
             raise ValueError(
                 "Please use a new API key from https://materialsproject.org/api "
                 "Keys for the new API are 32 characters, whereas keys for the legacy "
                 "API are 16 characters."
             )
 
-        self.api_key = api_key or DEFAULT_API_KEY
+        self.api_key = api_key
         self.endpoint = endpoint
         self.headers = headers or {}
         self.session = session or BaseRester._create_session(

diff --git a/mp_api/client/routes/_user_settings.py b/mp_api/client/routes/_user_settings.py
@@ -46,10 +46,11 @@ def patch_user_settings(self, consumer_id, settings):  # pragma: no cover
                 "sector",
                 "job_role",
                 "is_email_subscribed",
+                "agreed_terms",
             ]:
                 raise ValueError(
                     f"Invalid setting key {key}. Must be one of"
-                    "institution, sector, job_role, is_email_subscribed"
+                    "institution, sector, job_role, is_email_subscribed, agreed_terms"
                 )
             body[f"settings.{key}"] = settings[key]
 

diff --git a/mp_api/client/routes/materials/substrates.py b/mp_api/client/routes/materials/substrates.py
@@ -42,7 +42,7 @@ def search(
         """Query equations of state docs using a variety of search criteria.
 
         Arguments:
-            area (Tuple[float,float]): Minimum and maximum volume in Å² to consider for the minimim coincident
+            area (Tuple[float,float]): Minimum and maximum volume in Å² to consider for the minimum coincident
                 interface area range.
             energy (Tuple[float,float]): Minimum and maximum energy in meV to consider for the elastic energy range.
             film_id (str): Materials Project ID of the film material.

diff --git a/pyproject.toml b/pyproject.toml
@@ -22,7 +22,7 @@ classifiers = [
 dependencies = [
     "setuptools",
     "msgpack",
-    "maggma",
+    "maggma>=0.57.1",
     "pymatgen>=2022.3.7",
     "typing-extensions>=3.7.4.1",
     "requests>=2.23.0",