Merge pull request #880 from MolSSI/qcp_env

Enable creating portal client from env vars

qcportal/qcportal/client.py

@@ -125,7 +125,6 @@ def __init__(
         *,
         cache_dir: Optional[str] = None,
         cache_max_size: int = 0,
-        memory_cache_key: Optional[str] = None,
     ) -> None:
         """
         Parameters

qcportal/qcportal/client_base.py

@@ -235,6 +235,43 @@ def from_file(cls, server_name: Optional[str] = None, config_path: Optional[str]
 
         return cls(**data)
 
+    @classmethod
+    def from_env(cls):
+        """Creates a new client given information stored in environment variables
+
+        The environment variables are:
+
+          * QCPORTAL_ADDRESS (required)
+          * QCPORTAL_USERNAME (optional)
+          * QCPORTAL_PASSWORD (optional)
+          * QCPORTAL_VERIFY (optional, defaults to True)
+          * QCPORTAL_CACHE_DIR (optional)
+        """
+
+        address = os.environ.get("QCPORTAL_ADDRESS", None)
+        username = os.environ.get("QCPORTAL_USERNAME", None)
+        password = os.environ.get("QCPORTAL_PASSWORD", None)
+        verify = os.environ.get("QCPORTAL_VERIFY", True)
+        cache_dir = os.environ.get("QCPORTAL_CACHE_DIR", None)
+
+        if address is None:
+            raise KeyError("Required environment variable 'QCPORTAL_ADDRESS' not found")
+
+        data = {"address": address}
+
+        if username is not None:
+            data["username"] = username
+
+        if password is not None:
+            data["password"] = password
+
+        if cache_dir is not None:
+            data["cache_dir"] = cache_dir
+
+        data["verify"] = verify
+
+        return cls(**data)
+
     @property
     def encoding(self) -> str:
         return self._encoding