Implement path for custom config files

aiidalab · Feb 15, 2025 · fc49f85 · fc49f85
1 parent 0441b1c
commit fc49f85
Showing 1 changed file with 8 additions and 2 deletions.
diff --git a/src/aiidalab_qe/app/parameters/__init__.py b/src/aiidalab_qe/app/parameters/__init__.py
@@ -5,6 +5,7 @@
 import yaml
 
 from aiidalab_qe.app import parameters
+from aiidalab_qe.app.utils import get_entry_items
 
 
 def recursive_merge(d1, d2):
@@ -47,8 +48,13 @@ def recursive_merge(d1, d2):
 
 DEFAULT_PARAMETERS = yaml.safe_load(resources.read_text(parameters, "qeapp.yaml"))
 
+CUSTOM_CONFIG_DIR = Path.home() / ".aiidalab" / "quantum-espresso"
 
-custom_config_file = Path.home() / ".aiidalab" / "quantumespresso" / "config.yml"
-if custom_config_file.exists():
+configs = ["custom_config.yml"]
+configs.extend(get_entry_items("aiidalab_qe.properties", "config").values())
+for config in configs:
+    custom_config_file = CUSTOM_CONFIG_DIR / config
+    if not custom_config_file.exists():
+        continue
     custom_config = yaml.safe_load(custom_config_file.read_text())
     DEFAULT_PARAMETERS = recursive_merge(DEFAULT_PARAMETERS, custom_config)