dara.settings module

dara.settings module#

Default DARA settings. This approach was inspired by the atomate2 package.

pydantic settings DaraSettings[source]#

Bases: BaseSettings

Settings for DARA.

To edit these, please modify the config YAML file. By default, this is located at ~/.dara.yaml, but one can specify the path by setting the environment variable: “DARA_CONFIG_FILE”.

Show JSON schema

{
   "title": "DaraSettings",
   "description": "Settings for DARA.\n\nTo edit these, please modify the config YAML file. By default, this is located at\n~/.dara.yaml, but one can specify the path by setting the environment variable:\n\"DARA_CONFIG_FILE\".",
   "type": "object",
   "properties": {
      "CONFIG_FILE": {
         "default": "~/.dara.yaml",
         "description": "File to load alternative defaults from.",
         "title": "Config File",
         "type": "string"
      },
      "PATH_TO_ICSD": {
         "default": "/home/runner/ICSD_2024/ICSD_2024_experimental_inorganic/experimental_inorganic",
         "format": "path",
         "title": "Path To Icsd",
         "type": "string"
      },
      "PATH_TO_COD": {
         "default": "/home/runner/COD_2024",
         "format": "path",
         "title": "Path To Cod",
         "type": "string"
      }
   },
   "additionalProperties": false
}