From 4b31088351027885e48024874813a43f59132a89 Mon Sep 17 00:00:00 2001 From: Edan Bainglass Date: Mon, 17 Feb 2025 11:36:20 +0000 Subject: [PATCH 1/2] Rename custom config file reference --- src/aiidalab_qe/app/parameters/__init__.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/aiidalab_qe/app/parameters/__init__.py b/src/aiidalab_qe/app/parameters/__init__.py index 0ff9acf3e..a35e702b5 100644 --- a/src/aiidalab_qe/app/parameters/__init__.py +++ b/src/aiidalab_qe/app/parameters/__init__.py @@ -47,8 +47,7 @@ def recursive_merge(d1, d2): DEFAULT_PARAMETERS = yaml.safe_load(resources.read_text(parameters, "qeapp.yaml")) - -custom_config_file = Path.home() / ".aiidalab" / "quantumespresso" / "config.yml" +custom_config_file = Path.home() / ".aiidalab" / "quantum-espresso" / "qe-config.yml" if custom_config_file.exists(): custom_config = yaml.safe_load(custom_config_file.read_text()) DEFAULT_PARAMETERS = recursive_merge(DEFAULT_PARAMETERS, custom_config) From 64d7740b4e9db94ec77dd62a767be042fc68c41a Mon Sep 17 00:00:00 2001 From: Edan Bainglass Date: Mon, 17 Feb 2025 11:54:22 +0000 Subject: [PATCH 2/2] Refactor out `CONFIG_DIR_PATH` --- src/aiidalab_qe/app/parameters/__init__.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/aiidalab_qe/app/parameters/__init__.py b/src/aiidalab_qe/app/parameters/__init__.py index a35e702b5..5922ef760 100644 --- a/src/aiidalab_qe/app/parameters/__init__.py +++ b/src/aiidalab_qe/app/parameters/__init__.py @@ -47,7 +47,9 @@ def recursive_merge(d1, d2): DEFAULT_PARAMETERS = yaml.safe_load(resources.read_text(parameters, "qeapp.yaml")) -custom_config_file = Path.home() / ".aiidalab" / "quantum-espresso" / "qe-config.yml" +CONFIG_DIR_PATH = Path.home() / ".aiidalab" / "quantum-espresso" + +custom_config_file = CONFIG_DIR_PATH / "qe-config.yml" if custom_config_file.exists(): custom_config = yaml.safe_load(custom_config_file.read_text()) DEFAULT_PARAMETERS = recursive_merge(DEFAULT_PARAMETERS, custom_config)