Deployment following 0.46.0

.github/workflows/testing.yml

@@ -53,6 +53,10 @@ jobs:
         run: |
           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: Lint with mypy
+        shell: bash -l {0}
+        run: python -m mypy mp_api/
+
       - name: Test with pytest
         env:
           MP_API_KEY: ${{ secrets[env.API_KEY_NAME] }}

.gitignore

@@ -122,3 +122,4 @@ _autosummary
 uv.lock
 JANAF_*_data.json
 .gemini
+.codex

dev/inspect_mcp.sh

@@ -3,7 +3,7 @@
 # Tool to run the MCP inspector:
 # https://modelcontextprotocol.io/docs/tools/inspector
 
-server_path=$(python -c 'from importlib_resources import files ; print(str((files("mp_api.client") / ".."/ "..").resolve()))')
+server_path=$(python -c 'from importlib.resources import files ; print(str((files("mp_api.client") / ".."/ "..").resolve()))')
 
 fastmcp dev \
     --python 3.12 \

mp_api/client/__init__.py

@@ -1,13 +1,18 @@
 """Primary MAPI module."""
 from __future__ import annotations
 
+import logging
 import os
 from importlib.metadata import PackageNotFoundError, version
 
-from .core import MPRestError
-from .mprester import MPRester
+from mp_api.client.core.exceptions import MPRestError
+from mp_api.client.mprester import MPRester
+
+__all__ = ["MPRestError", "MPRester"]
 
 try:
     __version__ = version("mp_api")
 except PackageNotFoundError:  # pragma: no cover
-    __version__ = os.getenv("SETUPTOOLS_SCM_PRETEND_VERSION")
+    __version__ = os.getenv("SETUPTOOLS_SCM_PRETEND_VERSION", "")
+
+logging.getLogger(__name__).addHandler(logging.NullHandler())

mp_api/client/_server_utils.py

@@ -0,0 +1,103 @@
+"""Define utilities needed by the MP web server."""
+from __future__ import annotations
+
+try:
+    import flask
+except ImportError:
+    from mp_api.client.core.exceptions import MPRestError
+
+    raise MPRestError("`flask` must be installed to use server utilities.")
+
+import requests
+
+from mp_api.client import MPRester
+from mp_api.client.core.utils import validate_api_key
+
+SESSION = requests.Session()
+
+
+def is_localhost() -> bool:
+    """Determine if current env is local or production.
+
+    Returns:
+        bool: True if the environment is locally hosted.
+    """
+    return (
+        True
+        if not flask.has_request_context()
+        else flask.request.headers.get("Host", "").startswith(
+            ("localhost:", "127.0.0.1:", "0.0.0.0:")
+        )
+    )
+
+
+def get_consumer() -> dict[str, str]:
+    """Identify the consumer associated with the current request.
+
+    Returns:
+        dict of str to str, the headers associated with the consumer
+    """
+    if not flask.has_request_context():
+        return {}
+
+    names = [
+        "X-Consumer-Id",  # kong internal uuid
+        "X-Consumer-Custom-Id",  # api key
+        "X-Consumer-Username",  # <provider>:<email>
+        "X-Anonymous-Consumer",  # is anonymous user?
+        "X-Authenticated-Groups",  # groups this user belongs to
+        "X-Consumer-Groups",  # same as X-Authenticated-Groups
+    ]
+    headers = flask.request.headers
+    return {name: headers[name] for name in names if headers.get(name) is not None}
+
+
+def is_logged_in_user(consumer: dict[str, str] | None = None) -> bool:
+    """Check if the client has the necessary headers for an authenticated user.
+
+    Args:
+        consumer (dict of str to str, or None): Headers associated with the consumer
+
+    Returns:
+        bool : True if the consumer is a logged-in user, False otherwise.
+    """
+    c = consumer or get_consumer()
+    return bool(not c.get("X-Anonymous-Consumer") and c.get("X-Consumer-Id"))
+
+
+def get_user_api_key(consumer: dict[str, str] | None = None) -> str | None:
+    """Get the api key that belongs to the current user.
+
+    If running on localhost, api key is obtained from
+    the environment variable MP_API_KEY.
+
+    Args:
+        consumer (dict of str to str, or None): Headers associated with the consumer
+
+    Returns:
+        str, the API key, or None if no API key could be identified.
+    """
+    c = consumer or get_consumer()
+
+    if is_localhost():
+        return validate_api_key()
+    elif is_logged_in_user(c):
+        return c.get("X-Consumer-Custom-Id")
+    return None
+
+
+def get_rester(**kwargs) -> MPRester:
+    """Create MPRester with headers set for localhost and production compatibility.
+
+    Args:
+        **kwargs : kwargs to pass to MPRester
+
+    Returns:
+        MPRester
+    """
+    if is_localhost():
+        dev_api_key = get_user_api_key()
+        SESSION.headers["x-api-key"] = dev_api_key or ""
+        return MPRester(api_key=dev_api_key, session=SESSION, **kwargs)
+
+    return MPRester(headers=get_consumer(), session=SESSION, **kwargs)

mp_api/client/core/_oxygen_evolution.py

@@ -3,10 +3,10 @@
 from __future__ import annotations
 
 import json
+import warnings
 from collections.abc import Sequence
 from io import StringIO
 from pathlib import Path
-from warnings import warn
 
 import numpy as np
 import pandas as pd
@@ -16,6 +16,8 @@
 from scipy.constants import Avogadro, Boltzmann, atm, elementary_charge
 from scipy.interpolate import make_splrep, splev
 
+from mp_api.client.core.exceptions import MPRestWarning
+
 DEFAULT_CACHE_FILE = Path(__file__).absolute().parent / "JANAF_O2_data.json"
 # O2 partial pressure at ambient conditions, in MPa
 O2_PARTIAL_PRESSURE = 0.21 * atm * 1e-6
@@ -120,10 +122,11 @@ def mu_to_temp_spline(
             (mu_arr < min(NIST_JANAF_O2_MU_T["mu-mu_0K"]))
             | (mu_arr > max(NIST_JANAF_O2_MU_T["mu-mu_0K"]))
         ):
-            warn(
+            warnings.warn(
                 "Some of the input chemical potential values are "
                 "outside the fitting range - extrapolation will be inaccurate.",
                 stacklevel=2,
+                category=MPRestWarning,
             )
         return splev(mu_arr, self.mu_to_temp_spline_params())