Draft: AiiDA generator

autosubmit/autosubmit.py

@@ -57,6 +57,7 @@
 from .platforms.paramiko_submitter import ParamikoSubmitter
 from .platforms.platform import Platform
 from .migrate.migrate import Migrate
+from .generators import Engine, get_engine_generator
 
 dialog = None
 from time import sleep
@@ -87,7 +88,6 @@
 import autosubmit.helpers.autosubmit_helper as AutosubmitHelper
 import autosubmit.statistics.utils as StatisticsUtils
 from autosubmit.helpers.utils import proccess_id, terminate_child_process, check_jobs_file_exists
-
 from contextlib import suppress
 
 """
@@ -684,6 +684,18 @@ def parse_args():
                                 help='Select the status (one or more) to filter the list of jobs.')
             subparser.add_argument('-t', '--target', type=str, default="FAILED", metavar='STATUS',
                                 help='Final status of killed jobs. Default is FAILED.')
+
+            # Generate
+            subparser = subparsers.add_parser(
+                'generate', description='Generate a workflow definition for a different workflow engine',
+                argument_default=argparse.SUPPRESS)
+            subparser.add_argument('expid', help='experiment identifier')
+            subsubparser = subparser.add_subparsers(title="engines", dest='engine', required=True, description='Workflow engine identifier')
+            for engine in Engine:
+                generator_class = get_engine_generator(engine)
+                parser_engine = subsubparser.add_parser(engine.value, help=f"{generator_class.get_engine_name()}")
+                generator_class.add_parse_args(parser_engine)
+
             args, unknown = parser.parse_known_args()
             if args.version:
                 Log.info(Autosubmit.autosubmit_version)
@@ -694,6 +706,7 @@ def parse_args():
         except SystemExit as e:
             return 1
         except BaseException as e:
+            raise e
             raise AutosubmitCritical(
                 "Incorrect arguments for this command", 7011)
 
@@ -790,6 +803,9 @@ def parse_args():
             return Autosubmit.cat_log(args.ID, args.file, args.mode, args.inspect)
         elif args.command == 'stop':
             return Autosubmit.stop(args.expid, args.force, args.all, args.force_all, args.cancel, args.filter_status, args.target)
+        elif args.command == 'generate':
+            return Autosubmit.generate_workflow(args.expid, Engine[args.engine], args)
+
     @staticmethod
     def _init_logs(args, console_level='INFO', log_level='DEBUG', expid='None'):
         Log.set_console_level(console_level)
@@ -6104,5 +6120,47 @@ def retrieve_expids():
             terminate_child_process(expid)
 
 
+    @staticmethod
+    def generate_workflow(expid: str, engine: Engine, args: argparse.Namespace) -> None:
+        """Generate the workflow configuration for a different backend engine."""
+        Log.info(f'Generate workflow configuration for {engine}')
+
+        # TODO check the code below, if it makes sense, this I have not touched from original MR
+        try:
+            Log.info("Getting job list...")
+            as_conf = AutosubmitConfig(expid, BasicConfig, YAMLParserFactory())
+            as_conf.check_conf_files(False)
 
+            submitter = Autosubmit._get_submitter(as_conf)
+            submitter.load_platforms(as_conf)
+            if len(submitter.platforms) == 0:
+                raise ValueError('Missing platform!')
+
+            packages_persistence = JobPackagePersistence(
+                os.path.join(BasicConfig.LOCAL_ROOT_DIR, expid, "pkl"), "job_packages_" + expid)
+            job_list = Autosubmit.load_job_list(expid, as_conf, notransitive=False, monitor=False)
+
+            Autosubmit._load_parameters(as_conf, job_list, submitter.platforms)
+
+            hpc_architecture = as_conf.get_platform()
+            for job in job_list.get_job_list():
+                if job.platform_name is None or job.platform_name == '':
+                    job.platform_name = hpc_architecture
+                job.platform = submitter.platforms[job.platform_name]
+                job.update_parameters(as_conf, job_list.parameters)
+
+            job_list.check_scripts(as_conf)
+        except AutosubmitError as e:
+            raise AutosubmitCritical(e.message, e.code, e.trace)
+        except AutosubmitCritical as e:
+            raise
+        except BaseException as e:
+            raise AutosubmitCritical("Error while checking the configuration files or loading the job_list", 7040,
+                                     str(e))
 
+        generator_class = get_engine_generator(engine)
+        parser = argparse.ArgumentParser()
+        generator_class.add_parse_args(parser)
+        generator_input_keys = vars(parser.parse_args('')).keys()
+        generator_kwargs = {key: args.__getattribute__(key) for key in generator_input_keys} 
+        generator_class.generate(job_list, as_conf, **generator_kwargs)

autosubmit/generators/__init__.py

@@ -0,0 +1,47 @@
+from enum import Enum
+from importlib import import_module
+from typing import AbstractSet, Callable, cast
+from abc import ABC, abstractmethod
+
+
+"""This module provides generators to produce workflow configurations for different backend engines."""
+
+class Engine(Enum):
+    """Workflow Manager engine flavors."""
+    aiida = 'aiida'
+
+    def __str__(self):
+        return self.value
+
+
+# TODO COMMENT: we can make this alse a protocol, but I don't see the reason here for that
+class AbstractGenerator(ABC):
+    """Generator of workflow for an engine."""
+
+    @staticmethod
+    @abstractmethod
+    def get_engine_name() -> str:
+        """The engine name used for the help text."""
+        raise NotImplementedError
+
+    @staticmethod
+    @abstractmethod
+    def add_parse_args(parser) -> None:
+        """Adds arguments to the parser that are needed for a specific engine implementation."""
+        raise NotImplementedError
+
+    # TODO COMMENT: This could be also a __init__ plus method, but I thought one method is easier, then the implementation can do whatever
+    @classmethod
+    @abstractmethod
+    def generate(cls, job_list, as_conf, **arg_options) -> None:
+        """Generates the workflow from the created autosubmit workflow."""
+        raise NotImplementedError
+
+
+def get_engine_generator(engine: Engine) -> AbstractGenerator:
+    return import_module(f'autosubmit.generators.{engine.value}').Generator
+
+__all__ = [
+    'Engine',
+    'get_engine_generator'
+]