MPRester lazily get endpoint and api_key

.github/workflows/testing.yml

@@ -46,12 +46,12 @@ jobs:
       - name: Format API key name (Linux/MacOS)
         if: matrix.os == 'ubuntu-latest' || matrix.os == 'macos-latest'
         run: |
-          echo "API_KEY_NAME=$(echo ${{ format('MP_API_KEY_{0}_{1}', matrix.os, matrix.python-version) }} | awk '{gsub(/-|\./, "_"); print}')" >> $GITHUB_ENV
+          echo "API_KEY_NAME=$(echo ${{ format('MP_API_KEY_{0}_{1}', matrix.os, matrix.python-version) }} | awk '{gsub(/-|\./, "_"); print}' | tr '[:lower:]' '[:upper:]')" >> $GITHUB_ENV
 
       - name: Format API key name (Windows)
         if: matrix.os == 'windows-latest'
         run: |
-          echo "API_KEY_NAME=$(echo ${{ format('MP_API_KEY_{0}_{1}', matrix.os, matrix.python-version) }} | awk '{gsub(/-|\./, "_"); print}')" | Out-File -FilePath $Env:GITHUB_ENV -Encoding utf8 -Append
+          echo "API_KEY_NAME=$(echo ${{ format('MP_API_KEY_{0}_{1}', matrix.os, matrix.python-version) }} | awk '{gsub(/-|\./, "_"); print}' | tr '[:lower:]' '[:upper:]')" | Out-File -FilePath $Env:GITHUB_ENV -Encoding utf8 -Append
 
       - name: Test with pytest
         env:

mp_api/client/core/client.py

@@ -18,7 +18,7 @@
 from importlib.metadata import PackageNotFoundError, version
 from json import JSONDecodeError
 from math import ceil
-from typing import Any, Callable, Generic, TypeVar
+from typing import TYPE_CHECKING, Generic, TypeVar
 from urllib.parse import quote, urljoin
 
 import requests
@@ -42,18 +42,16 @@
 except ImportError:
     boto3 = None
 
+if TYPE_CHECKING:
+    from typing import Any, Callable
+
 try:
     __version__ = version("mp_api")
 except PackageNotFoundError:  # pragma: no cover
     __version__ = os.getenv("SETUPTOOLS_SCM_PRETEND_VERSION")
 
-# TODO: think about how to migrate from PMG_MAPI_KEY
-DEFAULT_API_KEY = os.environ.get("MP_API_KEY", None)
-DEFAULT_ENDPOINT = os.environ.get(
-    "MP_API_ENDPOINT", "https://api.materialsproject.org/"
-)
 
-settings = MAPIClientSettings()  # type: ignore
+SETTINGS = MAPIClientSettings()  # type: ignore
 
 T = TypeVar("T")
 
@@ -69,7 +67,7 @@ class BaseRester(Generic[T]):
     def __init__(
         self,
         api_key: str | None = None,
-        endpoint: str = DEFAULT_ENDPOINT,
+        endpoint: str | None = None,
         include_user_agent: bool = True,
         session: requests.Session | None = None,
         s3_client: Any | None = None,
@@ -78,7 +76,7 @@ def __init__(
         use_document_model: bool = True,
         timeout: int = 20,
         headers: dict | None = None,
-        mute_progress_bars: bool = settings.MUTE_PROGRESS_BARS,
+        mute_progress_bars: bool = SETTINGS.MUTE_PROGRESS_BARS,
     ):
         """Initialize the REST API helper class.
 
@@ -111,9 +109,11 @@ def __init__(
             headers: Custom headers for localhost connections.
             mute_progress_bars: Whether to disable progress bars.
         """
-        self.api_key = api_key or DEFAULT_API_KEY
-        self.base_endpoint = endpoint
-        self.endpoint = endpoint
+        # TODO: think about how to migrate from PMG_MAPI_KEY
+        self.api_key = api_key or os.getenv("MP_API_KEY")
+        self.base_endpoint = self.endpoint = endpoint or os.getenv(
+            "MP_API_ENDPOINT", "https://api.materialsproject.org/"
+        )
         self.debug = debug
         self.include_user_agent = include_user_agent
         self.monty_decode = monty_decode

mp_api/client/mprester.py

@@ -6,7 +6,7 @@
 import warnings
 from functools import cache, lru_cache
 from json import loads
-from typing import Literal
+from typing import TYPE_CHECKING
 
 from emmet.core.electronic_structure import BSPathType
 from emmet.core.mpid import MPID
@@ -60,19 +60,12 @@
 from mp_api.client.routes.materials.materials import MaterialsRester
 from mp_api.client.routes.molecules import MoleculeRester
 
-_DEPRECATION_WARNING = (
-    "MPRester is being modernized. Please use the new method suggested and "
-    "read more about these changes at https://docs.materialsproject.org/api. The current "
-    "methods will be retained until at least January 2022 for backwards compatibility."
-)
+if TYPE_CHECKING:
+    from typing import Literal
 
-_EMMET_SETTINGS = EmmetSettings()  # type: ignore
-_MAPI_SETTINGS = MAPIClientSettings()  # typeL ignore # type: ignore
 
-DEFAULT_API_KEY = os.environ.get("MP_API_KEY", None)
-DEFAULT_ENDPOINT = os.environ.get(
-    "MP_API_ENDPOINT", "https://api.materialsproject.org/"
-)
+_EMMET_SETTINGS = EmmetSettings()
+_MAPI_SETTINGS = MAPIClientSettings()
 
 
 class MPRester:
@@ -124,7 +117,7 @@ class MPRester:
     def __init__(
         self,
         api_key: str | None = None,
-        endpoint: str = DEFAULT_ENDPOINT,
+        endpoint: str | None = None,
         notify_db_version: bool = False,
         include_user_agent: bool = True,
         monty_decode: bool = True,
@@ -143,10 +136,10 @@ def __init__(
                 If so, it will use that environment variable. This makes
                 easier for heavy users to simply add this environment variable to
                 their setups and MPRester can then be called without any arguments.
-            endpoint (str): Url of endpoint to access the MaterialsProject REST
+            endpoint (str): URL of endpoint to access the MaterialsProject REST
                 interface. Defaults to the standard Materials Project REST
                 address at "https://api.materialsproject.org", but
-                can be changed to other urls implementing a similar interface.
+                can be changed to other URLs implementing a similar interface.
             notify_db_version (bool): If True, the current MP database version will
                 be retrieved and logged locally in the ~/.mprester.log.yaml. If the database
                 version changes, you will be notified. The current database version is
@@ -169,7 +162,7 @@ def __init__(
 
         """
         # SETTINGS tries to read API key from ~/.config/.pmgrc.yaml
-        api_key = api_key or DEFAULT_API_KEY or SETTINGS.get("PMG_MAPI_KEY")
+        api_key = api_key or os.getenv("MP_API_KEY") or SETTINGS.get("PMG_MAPI_KEY")
 
         if api_key and len(api_key) != 32:
             raise ValueError(
@@ -179,7 +172,9 @@ def __init__(
             )
 
         self.api_key = api_key
-        self.endpoint = endpoint
+        self.endpoint = endpoint or os.getenv(
+            "MP_API_ENDPOINT", "https://api.materialsproject.org/"
+        )
         self.headers = headers or {}
         self.session = session or BaseRester._create_session(
             api_key=self.api_key,
@@ -257,7 +252,7 @@ def __init__(
         core_resters = {
             cls.suffix.split("/")[0]: cls(
                 api_key=api_key,
-                endpoint=endpoint,
+                endpoint=self.endpoint,
                 include_user_agent=include_user_agent,
                 session=self.session,
                 monty_decode=monty_decode,
@@ -280,7 +275,7 @@ def __init__(
                 if len(suffix_split) == 1:
                     rester = cls(
                         api_key=api_key,
-                        endpoint=endpoint,
+                        endpoint=self.endpoint,
                         include_user_agent=include_user_agent,
                         session=self.session,
                         monty_decode=monty_decode
@@ -310,7 +305,7 @@ def __core_custom_getattr(_self, _attr, _rester_map):
                 cls = _rester_map[_attr]
                 rester = cls(
                     api_key=api_key,
-                    endpoint=endpoint,
+                    endpoint=self.endpoint,
                     include_user_agent=include_user_agent,
                     session=self.session,
                     monty_decode=monty_decode

tests/materials/test_materials.py

@@ -51,9 +51,7 @@ def rester():
 }  # type: dict
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client(rester):
     search_method = rester.search
 

tests/materials/test_summary.py

@@ -59,9 +59,7 @@
 }  # type: dict
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client():
     search_method = SummaryRester().search
 

tests/materials/test_tasks.py

@@ -39,9 +39,7 @@ def rester():
 }  # type: dict
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client(rester):
     search_method = rester.search
 

tests/materials/test_thermo.py

@@ -48,9 +48,7 @@ def rester():
 }  # type: dict
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client(rester):
     search_method = rester.search
 

tests/materials/test_xas.py

@@ -44,9 +44,7 @@ def rester():
 
 
 @pytest.mark.skip(reason="Temp skip until timeout update.")
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client(rester):
     search_method = rester.search
 

tests/molecules/test_jcesr.py

@@ -35,9 +35,7 @@ def rester():
 }  # type: dict
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client(rester):
     search_method = rester.search
 

tests/molecules/test_summary.py

@@ -34,9 +34,7 @@
 
 
 @pytest.mark.skip(reason="Temporary until data adjustments")
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_client():
     search_method = MoleculesSummaryRester().search
 

tests/test_client.py

@@ -1,4 +1,5 @@
 import os
+import warnings
 
 import pytest
 
@@ -49,9 +50,7 @@
 ]
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 @pytest.mark.parametrize("rester", resters_to_test)
 def test_generic_get_methods(rester):
     # -- Test generic search and get_data_by_id methods
@@ -61,9 +60,8 @@ def test_generic_get_methods(rester):
         endpoint=mpr.endpoint,
         include_user_agent=True,
         session=mpr.session,
-        monty_decode=True
-        if rester not in [TaskRester, ProvenanceRester]  # type: ignore
-        else False,  # Disable monty decode on nested data which may give errors
+        # Disable monty decode on nested data which may give errors
+        monty_decode=rester not in [TaskRester, ProvenanceRester],
         use_document_model=True,
     )
 
@@ -85,7 +83,3 @@ def test_generic_get_methods(rester):
                 key_only_resters[name], fields=[rester.primary_key]
             )
             assert isinstance(doc, rester.document_model)
-
-
-if os.getenv("MP_API_KEY", None) is None:
-    pytest.mark.skip(test_generic_get_methods)