Fix the workflow bug and add docs.

Author: ErjieWu

deepks/io/input/__init__.py

@@ -1,15 +1,61 @@
 """Unified input configuration module for DeePKS."""
 
+from .config import (
+    VALID_TASK_TYPES,
+    apply_backend_compatibility,
+    get_default_config,
+    infer_scf_backend,
+    normalize_config,
+    render_input_parameter_doc,
+)
 from .loader import load_config
-from .merger import merge_configs
+from .merger import merge_configs, apply_parameter_inheritance, package_config
 from .validator import validate_config
-from .defaults import get_default_config
 from .dispatcher import dispatch_command
 
+
+def build_runtime_config_from_raw(raw_config):
+    """Build packaged runtime config from an in-memory raw config dictionary."""
+    task_type = raw_config.get('type')
+    if task_type is None:
+        raise ValueError("'type' field is required in configuration file")
+    if task_type not in VALID_TASK_TYPES:
+        raise ValueError(
+            f"Unknown type: {task_type}. Valid types: {', '.join(sorted(VALID_TASK_TYPES))}"
+        )
+
+    normalized = normalize_config(raw_config, task_type)
+    scf_soft = infer_scf_backend(normalized)
+    defaults = get_default_config(task_type, scf_soft)
+    config = merge_configs(defaults, normalized)
+
+    if task_type == 'iterate':
+        config = apply_parameter_inheritance(config)
+
+    config = apply_backend_compatibility(config, task_type)
+    validate_config(config, task_type)
+    return package_config(config)
+
+
+def build_runtime_config(config_path):
+    """Build packaged runtime config from a user config path."""
+    raw_config = load_config(config_path)
+    return build_runtime_config_from_raw(raw_config)
+
+
 __all__ = [
+    'VALID_TASK_TYPES',
     'load_config',
     'merge_configs',
+    'apply_parameter_inheritance',
+    'package_config',
     'validate_config',
     'get_default_config',
     'dispatch_command',
+    'build_runtime_config',
+    'build_runtime_config_from_raw',
+    'normalize_config',
+    'apply_backend_compatibility',
+    'infer_scf_backend',
+    'render_input_parameter_doc',
 ]