Feature: Multi computer and code export/import via YAML files

docs/source/reference/command_line.rst

@@ -75,7 +75,7 @@ Below is a list with all available subcommands.
       create     Create a new code.
       delete     Delete a code.
       duplicate  Duplicate a code allowing to change some parameters.
-      export     Export code to a yaml file.
+      export     Export code(s) to yaml file(s).
       hide       Hide one or more codes from `verdi code list`.
       list       List the available codes.
       relabel    Relabel a code.
@@ -100,17 +100,18 @@ Below is a list with all available subcommands.
       --help  Show this message and exit.
 
     Commands:
-      configure  Configure the transport for a computer and user.
-      delete     Delete a computer.
-      disable    Disable the computer for the given user.
-      duplicate  Duplicate a computer allowing to change some parameters.
-      enable     Enable the computer for the given user.
-      export     Export the setup or configuration of a computer.
-      list       List all available computers.
-      relabel    Relabel a computer.
-      setup      Create a new computer.
-      show       Show detailed information for a computer.
-      test       Test the connection to a computer.
+      configure   Configure the transport for a computer and user.
+      delete      Delete a computer.
+      disable     Disable the computer for the given user.
+      duplicate   Duplicate a computer allowing to change some parameters.
+      enable      Enable the computer for the given user.
+      export      Export the setup or configuration of a computer.
+      list        List all available computers.
+      relabel     Relabel a computer.
+      setup       Create a new computer.
+      setup-many  Create multiple computers from YAML configuration files.
+      show        Show detailed information for a computer.
+      test        Test the connection to a computer.
 
 
 .. _reference:command-line:verdi-config:
@@ -453,7 +454,7 @@ Below is a list with all available subcommands.
       --broker-host HOSTNAME          Hostname for the message broker.  [default: 127.0.0.1]
       --broker-port INTEGER           Port for the message broker.  [default: 5672]
       --broker-virtual-host TEXT      Name of the virtual host for the message broker without
-                                      leading forward slash.  [default: ""]
+                                      leading forward slash.
       --repository DIRECTORY          Absolute path to the file repository.
       --test-profile                  Designate the profile to be used for running the test
                                       suite only.

src/aiida/cmdline/commands/cmd_code.py

@@ -250,43 +250,103 @@ def show(code):
 
 
 @verdi_code.command()
-@arguments.CODE()
-@arguments.OUTPUT_FILE(type=click.Path(exists=False, path_type=pathlib.Path), required=False)
+@click.argument('codes_and_output', nargs=-1, required=True)
+@click.option('-a', '--all', 'export_all', is_flag=True, help='Export all codes.')
 @options.OVERWRITE()
 @options.SORT()
 @with_dbenv()
-def export(code, output_file, overwrite, sort):
-    """Export code to a yaml file. If no output file is given, default name is created based on the code label."""
+def export(codes_and_output, export_all, overwrite, sort):
+    """Export code(s) to yaml file(s).
+
+    Usage:
+    - verdi code export CODE_ID [CODE_ID ...] [OUTPUT_FILE]
+    - verdi code export --all
+
+    If no output file is given, default names are created based on the code labels.
+    Custom output filename can only be provided when exporting a single code.
+    """
+    from aiida import orm
+    from aiida.common import NotExistent
+
     other_args = {'sort': sort}
     fileformat = 'yaml'
 
-    if output_file is None:
-        output_file = pathlib.Path(f'{code.full_label}.{fileformat}')
-
-    try:
-        # In principle, output file validation is also done in the `data_export` function. However, the
-        # `validate_output_filename` function is applied here, as well, as it is also used in the `Computer` export, and
-        # as `Computer` is not derived from `Data`, it cannot be exported by `data_export`, so
-        # `validate_output_filename` cannot be removed in favor of the validation done in `data_export`.
-        validate_output_filename(
-            output_file=output_file,
-            overwrite=overwrite,
-        )
-    except (FileExistsError, IsADirectoryError) as exception:
-        raise click.BadParameter(str(exception), param_hint='OUTPUT_FILE') from exception
+    # Handle --all option
+    if export_all:
+        if codes_and_output:
+            echo.echo_critical('Cannot specify both --all and individual codes.')
+
+        # Get all non-hidden codes
+        query = orm.QueryBuilder()
+        query.append(orm.Code, filters={f'extras.{orm.Code.HIDDEN_KEY}': {'!==': True}})
+        codes = [code for [code] in query.all()]
+        if not codes:
+            echo.echo_report('No codes found in the database.')
+            return
+        output_file = None
+    else:
+        # Parse codes and potential output file
+        if not codes_and_output:
+            echo.echo_critical('Must specify either --all or individual code identifiers.')
+
+        codes = []
+        output_file = None
+
+        # Try to parse all arguments as codes first
+        for i, arg in enumerate(codes_and_output):
+            try:
+                code = orm.load_code(arg)
+                codes.append(code)
+            except NotExistent:
+                # This argument is not a valid code identifier
+                if i == len(codes_and_output) - 1:
+                    # Last argument and not a code - treat as output file
+                    output_file = pathlib.Path(arg)
+                    break
+                else:
+                    # Not last argument and not a code - error
+                    echo.echo_critical(f'Invalid code identifier: {arg}')
+
+        if not codes:
+            echo.echo_critical('No valid code identifiers provided.')
+
+    # Validate output file usage
+    if output_file and len(codes) > 1:
+        msg = 'Custom output filename can only be provided if a single code is being exported.'
+        raise click.BadParameter(msg)
+
+    # Export each code
+    for code in codes:
+        # Determine the output file for this specific code
+        if output_file is None:
+            current_output_file = pathlib.Path(f'{code.full_label}.{fileformat}')
+        else:
+            current_output_file = output_file
 
-    try:
-        data_export(
-            node=code,
-            output_fname=output_file,
-            fileformat=fileformat,
-            other_args=other_args,
-            overwrite=overwrite,
-        )
-    except Exception as exception:
-        echo.echo_critical(f'Error in the `data_export` function: {exception}')
+        try:
+            # In principle, output file validation is also done in the `data_export` function. However, the
+            # `validate_output_filename` function is applied here, as well, as it is also used in the `Computer` export,
+            # and as `Computer` is not derived from `Data`, it cannot be exported by `data_export`, so
+            # `validate_output_filename` cannot be removed in favor of the validation done in `data_export`.
+            validate_output_filename(
+                output_file=current_output_file,
+                overwrite=overwrite,
+            )
+        except (FileExistsError, IsADirectoryError) as exception:
+            raise click.BadParameter(str(exception), param_hint='OUTPUT_FILE') from exception
 
-    echo.echo_success(f'Code<{code.pk}> {code.label} exported to file `{output_file}`.')
+        try:
+            data_export(
+                node=code,
+                output_fname=current_output_file,
+                fileformat=fileformat,
+                other_args=other_args,
+                overwrite=overwrite,
+            )
+        except Exception as exception:
+            echo.echo_critical(f'Error in the `data_export` function: {exception}')
+
+        echo.echo_success(f'Code<{code.pk}> {code.label} exported to file `{current_output_file}`.')
 
 
 @verdi_code.command()

src/aiida/cmdline/commands/cmd_computer.py

@@ -322,6 +322,39 @@ def computer_setup(ctx, non_interactive, **kwargs):
     echo.echo_report(f'  verdi -p {profile.name} computer configure {computer.transport_type} {computer.label}')
 
 
+@verdi_computer.command('setup-many')
+@click.argument('config_files', nargs=-1, required=True, type=click.Path(exists=True, path_type=pathlib.Path))
+@with_dbenv()
+def computer_setup_many(config_files):
+    """Create multiple computers from YAML configuration files."""
+    import yaml
+
+    from aiida.common.exceptions import IntegrityError
+    from aiida.orm.utils.builders.computer import ComputerBuilder
+
+    for config_path in config_files:
+        try:
+            with open(config_path, 'r', encoding='utf-8') as f:
+                config_data = yaml.safe_load(f)
+
+            computer_builder = ComputerBuilder(**config_data)
+            computer = computer_builder.new()
+            computer.store()
+
+            echo.echo_success(f'Computer<{computer.pk}> {computer.label} created')
+        except IntegrityError as e:
+            if 'UNIQUE constraint failed: db_dbcomputer.label' in str(e):
+                msg = (
+                    f'Error processing {config_path}: Computer with label "{config_data.get("label", "unknown")}"'
+                    'already exists'
+                )
+                echo.echo_error(msg)
+            else:
+                echo.echo_error(f'Error processing {config_path}: Database integrity error - {e}')
+        except Exception as e:
+            echo.echo_error(f'Error processing {config_path}: {e}')
+
+
 @verdi_computer.command('duplicate')
 @arguments.COMPUTER(callback=set_computer_builder)
 @options_computer.LABEL(contextual_default=partial(get_parameter_default, 'label'))

src/aiida/cmdline/params/options/main.py

@@ -47,6 +47,7 @@
     'COMPUTER',
     'COMPUTERS',
     'CONFIG_FILE',
+    'CONFIG_FILES',
     'DATA',
     'DATUM',
     'DB_BACKEND',
@@ -735,6 +736,13 @@ def set_log_level(ctx: click.Context, _param: click.Parameter, value: t.Any) ->
     help='Load option values from configuration file in yaml format (local path or URL).',
 )
 
+CONFIG_FILES = click.option(
+    '--config-files',
+    multiple=True,
+    type=click.Path(exists=True, path_type=pathlib.Path),
+    help='Load computer setup from multiple configuration files in YAML format. Can be specified multiple times.',
+)
+
 IDENTIFIER = OverridableOption(
     '-i',
     '--identifier',