Create cfg object from Config class

cases/cosmo-ghg-11km-test/config.yaml

@@ -2,6 +2,7 @@
 
 # GENERAL SETTINGS
 model: cosmo-ghg
+constraint: gpu
 restart_step: 12
 variant: spinup
 spinup: 6

run_chain.py

@@ -86,102 +86,115 @@ def parse_arguments():
 
     return args
 
+class Config():
+    def __init__(self, casename):
+        # Global attributes (initialized with default values)
+        self.casename = casename
+        self.user = os.environ['USER']
+        self.chain_src_dir = os.getcwd()
+        self.path = os.path.join(self.chain_src_dir, self.casename)
+        self.work_root = os.path.join(self.chain_src_dir, 'work')
+
+        # User-defined attributes from config file
+        self.load_config_file(casename)
+
+        # Derived attributes based on user configuration
+        self.set_account()
+        self.set_node_info()
+
+
+    def load_config_file(self, casename):
+        """
+        Load the configuration settings from a YAML file.
+
+        This method reads the configuration settings from a YAML file located in
+        the 'cases/casename' directory and sets them as attributes of the instance.
+
+        Parameters:
+        - casename (str): Name of the folder in 'cases/' where the configuration
+          files are stored.
+
+        Returns:
+        - self (Config): The same `Config` instance with configuration settings as
+          attributes.
+        """
+
+        cfg_file = os.path.join('cases', casename, 'config.yaml')
+
+        if not os.path.isfile(cfg_file):
+            all_cases = [
+                path.name for path in os.scandir('cases') if path.is_dir()
+            ]
+            closest_name = min([(tools.levenshtein(casename, name), name)
+                                for name in all_cases],
+                               key=lambda x: x[0])[1]
+            raise FileNotFoundError(
+                f"Case-directory '{casename}' not found, did you mean '{closest_name}'?"
+            )
+
+        try:
+            with open(cfg_file, 'r') as yaml_file:
+                cfg_data = yaml.load(yaml_file, Loader=yaml.FullLoader)
+        except FileNotFoundError:
+            raise FileNotFoundError(
+                f"No file 'config.yaml' in {os.path.dirname(cfg_file)}")
+
+        # Directly assign values to instance attributes
+        for key, value in cfg_data.items():
+            setattr(self, key, value)
+
+        # Save the user-defined items
+            self.user_config = cfg_data.items()
+
+        return self
+
+    def set_account(self):
+        if self.user == 'jenkins':
+            # g110 account for Jenkins testing
+            self.compute_account = 'g110'
+        elif os.path.exists(os.environ['HOME'] + '/.acct'):
+            # Use account specified in ~/.acct file
+            with open(os.environ['HOME'] + '/.acct', 'r') as file:
+                self.compute_account = file.read().rstrip()
+        else:
+            # Use standard account
+            self.compute_account = os.popen("id -gn").read().splitlines()[0]
+
+        return self
+
+    def set_node_info(self):
+        if self.constraint == 'gpu':
+            self.ntasks_per_node = 12
+            self.mpich_cuda = ('export MPICH_RDMA_ENABLED_CUDA=1\n'
+                               'export MPICH_G2G_PIPELINE=256\n'
+                               'export CRAY_CUDA_MPS=1\n')
+        elif self.constraint == 'mc':
+            self.ntasks_per_node = 36
+            self.mpich_cuda = ''
+        else:
+            raise ValueError("Invalid value for 'constraint' in the configuration."
+                             "It should be either 'gpu' or 'mc'.")
 
-def load_config_file(casename, cfg):
-    """
-    Load the configuration settings from a YAML file.
-
-    This function reads the configuration settings from a YAML file located in
-    the 'cases/casename' directory and sets them as attributes of the provided
-    `cfg` object.
-
-    Parameters:
-    - casename (str): Name of the folder in 'cases/' where the configuration
-      files are stored.
-    - cfg (object): An object to store the configuration settings as attributes.
-
-    Returns:
-    - cfg (object): The same `cfg` object with configuration settings as
-      attributes.
-    """
-
-    cfg_file = os.path.join('cases', casename, 'config.yaml')
-
-    if not os.path.isfile(cfg_file):
-        all_cases = [
-            path.name for path in os.scandir('cases') if path.is_dir()
-        ]
-        closest_name = min([(tools.levenshtein(casename, name), name)
-                            for name in all_cases],
-                           key=lambda x: x[0])[1]
-        raise FileNotFoundError(
-            f"Case-directory '{casename}' not found, did you mean '{closest_name}'?"
-        )
-
-    try:
-        with open(cfg_file, 'r') as yaml_file:
-            cfg_data = yaml.load(yaml_file, Loader=yaml.FullLoader)
-    except FileNotFoundError:
-        raise FileNotFoundError(
-            f"No file 'config.yaml' in {os.path.dirname(cfg_file)}")
-
-    for key, value in cfg_data.items():
-        setattr(cfg, key, value)
-
-    # Set additional config variables
-    cfg = set_user_account(cfg)
-    cfg = set_node_info(cfg)
-
-    return cfg
-
-
-def set_user_account(cfg):
-    setattr(cfg, user, os.environ['USER'])
-    if cfg.user == 'jenkins':
-        # g110 account for Jenkins testing
-        setattr(cfg, compute_account, 'g110')
-    elif os.path.exists(os.environ['HOME'] + '/.acct'):
-        # Use account specified in ~/.acct file
-        with open(os.environ['HOME'] + '/.acct', 'r') as file:
-            setattr(cfg, compute_account, file.read().rstrip())
-    else:
-        # Use standard account
-        setattr(cfg, compute_account,
-                os.popen("id -gn").read().splitlines()[0])
-
-    return cfg
-
-
-def set_node_info(cfg):
-    if cfg.constraint == 'gpu':
-        setattr(cfg, ntasks_per_node, 12)
-        setattr(cfg, mpich_cuda, ('export MPICH_RDMA_ENABLED_CUDA=1\n'
-                                  'export MPICH_G2G_PIPELINE=256\n'
-                                  'export CRAY_CUDA_MPS=1\n'))
-    elif cfg.constraint == 'mc':
-        setattr(cfg, ntasks_per_node, 36)
-        setattr(cfg, mpich_cuda, '')
-    else:
-        raise ValueError("Invalid value for 'constraint' in the configuration."
-                         "It should be either 'gpu' or 'mc'.")
-
-    return cfg
-
-
-def set_paths_and_case(cfg):
-    # Root directory of the sourcecode of the chain (where run_chain.py is)
-    setattr(cfg, chain_src_dir, os.getcwd())
+        return self
 
-    # The case name is the name of the case directory
-    setattr(cfg, casename, os.path.basename(os.path.dirname(path)))
 
-    # Path of the case files
-    setattr(cfg, path, os.path.join(cfg.chain_src.dir, cfg.casename))
+    def print_config(self):
+        # Print the configuration
+        print("Global Attributes:")
+        print(f"casename: {self.casename}")
+        print(f"user: {self.user}")
+        print(f"chain_src_dir: {self.chain_src_dir}")
+        print(f"path: {self.path}")
+        print(f"work_root: {self.work_root}")
 
-    # Root directory of the working space of the chain
-    setattr(cfg, work_root, os.path.join(chain_src_dir, 'work'))
+        print("\nUser-defined attributes:")
+        for key, value in self.user_config:
+            print(f"{key}: {value}")
 
-    return cfg
+        print("\nDerived attributes:")
+        print(f"compute_account: {self.compute_account}")
+        print(f"ntasks_per_node: {self.ntasks_per_node}")
+        print(f"mpich_cuda: {self.mpich_cuda}")
 
 
 def run_chain(work_root, model_cfg, cfg, start_time, hstart, hstop, job_names,
@@ -637,11 +650,11 @@ def load_model_config_yaml(yamlfile):
 if __name__ == '__main__':
     args = parse_arguments()
 
-    # 'empty' config object to be overwritten by load_config_file
-    cfg = None
     for casename in args.casenames:
         model_cfg = load_model_config_yaml('config/models.yaml')
-        cfg = load_config_file(casename=casename, cfg=cfg)
+        cfg = Config(casename)
+        cfg.print_config()
+        sys.exit()
         start_time = datetime.strptime(args.startdate, '%Y-%m-%d')
         if args.job_list is None:
             args.job_list = model_cfg['models'][cfg.model]['jobs']