Update logging in cli related files

qcfractal/cli/qcfractal_server.py

@@ -239,7 +239,6 @@ def server_start(args, config):
         logfile = str(config.base_path / config.fractal.logfile)
 
     print("\n>>> Checking the PostgreSQL connection...")
-    database_name = config.database.database_name
     psql = PostgresHarness(config, quiet=False, logger=print)
 
     if not psql.is_alive():
@@ -251,7 +250,7 @@ def server_start(args, config):
             sys.exit(1)
 
     # make sure DB is created
-    psql.create_database(database_name)
+    psql.create_database(config.database.database_name)
 
     print("\n>>> Initializing the QCFractal server...")
     try:
@@ -267,7 +266,7 @@ def server_start(args, config):
 
             # Database
             storage_uri=config.database_uri(safe=False, database=""),
-            storage_project_name=database_name,
+            storage_project_name=config.database.database_name,
             query_limit=config.fractal.query_limit,
 
             # Log options

qcfractal/config.py

@@ -8,7 +8,6 @@
 from typing import Optional
 
 from pydantic import BaseSettings, Schema, validator
-from typing import ClassVar
 import yaml
 
 
@@ -103,7 +102,7 @@ class Config(SettingsCommonConfig):
 class FractalConfig(ConfigSettings):
 
     # class variable, not in the pydantic model
-    defaults_file_path: ClassVar[str] = os.path.expanduser("~/.qca/qcfractal_defaults.yaml")
+    _defaults_file_path: str = os.path.expanduser("~/.qca/qcfractal_defaults.yaml")
 
     base_folder: str = Schema(os.path.expanduser("~/.qca/qcfractal"),
                               description="The QCFractal base instance to attach to.")
@@ -118,8 +117,8 @@ def __init__(self, **kwargs):
         # If no base_folder provided, read it from ~/.qca/qcfractal_defaults.yaml (if it exists)
         # else, use the default base_folder
         if 'base_folder' not in kwargs:
-            if Path(FractalConfig.defaults_file_path).exists():
-                with open(FractalConfig.defaults_file_path, "r") as handle:
+            if Path(FractalConfig._defaults_file_path).exists():
+                with open(FractalConfig._defaults_file_path, "r") as handle:
                     kwargs['base_folder'] = yaml.load(handle.read(),
                                                       Loader=yaml.FullLoader)['default_base_folder']
 

qcfractal/postgres_harness.py

@@ -130,7 +130,7 @@ def command(self, cmd: str) -> Any:
         self._check_psql()
 
         if not self.quiet:
-            logger(f"pqsl command: {cmd}")
+            self.logger(f"pqsl command: {cmd}")
         psql_cmd = [shutil.which("psql"), "-p", str(self.config.database.port), "-c"]
         return self._run(psql_cmd + [cmd])
 
@@ -179,7 +179,7 @@ def create_tables(self):
         """Create database tables using SQLAlchemy models"""
 
         uri = self.config.database_uri()
-        print(f'Creating tables for database: {uri}')
+        self.logger(f'tables for database: {uri}')
         engine = create_engine(uri, echo=False, pool_size=1)
 
         # actually create the tables
@@ -204,8 +204,8 @@ def upgrade(self):
         ret = self._run(cmd)
 
         if ret['retcode'] != 0:
-            raise ValueError("\nFailed to Upgrade the database, make sure to init the database first before being able to upgrade it.\n")
-            print(ret)
+            self.logger(ret)
+            raise ValueError(f"\nFailed to Upgrade the database, make sure to init the database first before being able to upgrade it.\n")
 
         return True
 
@@ -326,16 +326,17 @@ def init_database(self):
         self.create_tables()
 
         # update alembic_version table with the current version
-        print('\nStamping Database with current version..')
+        self.logger(f'\nStamping Database with current version..')
 
         ret = self._run([shutil.which('alembic'),
                          '-c', self._alembic_ini,
                          '-x', 'uri='+self.config.database_uri(),
                          'stamp', 'head'])
 
         if ret['retcode'] != 0:
+            self.logger(ret)
             raise ValueError("\nFailed to Stamp the database with current version.\n")
-            print(ret)
+
 
 
 class TemporaryPostgres: