CLI: Add the subcommand verdi computer export

Enables the export of the configuration and setup of a computer to yaml
file similar to `verdi code export`. Since the setup and configuration
are two seperate steps, one has to specify with `config` or `setup`
which of the two should be exported.

docs/source/reference/command_line.rst

@@ -105,6 +105,7 @@ Below is a list with all available subcommands.
       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     Exports the Authinfo details for a computer (and user).
       list       List all available computers.
       relabel    Relabel a computer.
       setup      Create a new computer.

src/aiida/cmdline/commands/cmd_computer.py

@@ -730,3 +730,62 @@ def computer_config_show(computer, user, defaults, as_option_string):
             else:
                 table.append((f'* {name}', '-'))
         echo_tabulate(table, tablefmt='plain')
+
+
+@verdi_computer.group('export', cls=LazyConfigureGroup)
+def computer_export():
+    """Exports the Authinfo details for a computer (and user)."""
+
+
+@computer_export.command('setup')
+@arguments.COMPUTER()
+@arguments.OUTPUT_FILE(type=click.Path(exists=False))
+@with_dbenv()
+def computer_export_setup(computer, output_file):
+    """Export computer setup to a yaml file."""
+    import yaml
+
+    computer_setup_data = {
+        'label': computer.label,
+        'description': computer.description,
+        'hostname': computer.hostname,
+        'transport': computer.transport_type,
+        'scheduler': computer.scheduler_type,
+        'work_dir': computer.get_workdir(),
+        'shebang': computer.get_shebang(),
+        'mpirun_command': ' '.join(computer.get_mpirun_command()),
+        'mpiprocs_per_machine': computer.get_default_mpiprocs_per_machine(),
+        'default_memory_per_machine': computer.get_default_memory_per_machine(),
+        'prepend_text': computer.get_prepend_text(),
+        'append_text': computer.get_append_text(),
+        'use_double_quotes': computer.get_use_double_quotes(),
+    }
+    try:
+        with open(output_file, 'w', encoding='utf-8') as yfhandle:
+            yaml.dump(computer_setup_data, yfhandle)
+        echo.echo_success(f"Computer<{computer.pk}> {computer.label} setup exported to file '{output_file}'.")
+    except Exception:
+        raise
+
+
+@computer_export.command('config')
+@arguments.COMPUTER()
+@arguments.OUTPUT_FILE(type=click.Path(exists=False))
+@with_dbenv()
+def computer_export_config(computer, output_file):
+    """Export computer configuration to a yaml file."""
+    import yaml
+
+    if not computer.is_configured:
+        echo.echo_error(
+            f'Computer<{computer.pk}> {computer.label} config cannot be exported,'
+            'because computer has not been configured yet.'
+        )
+    else:
+        computer_config_data = computer.get_configuration()
+        try:
+            with open(output_file, 'w', encoding='utf-8') as yfhandle:
+                yaml.dump(computer_config_data, yfhandle)
+            echo.echo_success(f"Computer<{computer.pk}> {computer.label} config exported to file '{output_file}'.")
+        except Exception:
+            raise

tests/cmdline/commands/test_computer.py

@@ -14,11 +14,14 @@
 from collections import OrderedDict
 
 import pytest
+import yaml
 from aiida import orm
 from aiida.cmdline.commands.cmd_computer import (
     computer_configure,
     computer_delete,
     computer_duplicate,
+    computer_export_config,
+    computer_export_setup,
     computer_list,
     computer_relabel,
     computer_setup,
@@ -511,6 +514,70 @@ def test_show(self):
         assert '--username=' in result.output
         assert result_cur.output == result.output
 
+    def test_computer_export_setup(self):
+        """Test if 'verdi computer export setup' command works"""
+        self.comp_builder.label = 'test_computer_export_setup'
+        self.comp_builder.transport = 'core.ssh'
+        comp = self.comp_builder.new()
+        comp.store()
+
+        exported_setup_filename = 'computer-setup.yml'
+        try:
+            result = self.cli_runner(computer_export_setup, [comp.label, exported_setup_filename])
+            assert 'Success' in result.output, 'Command should have run successfull.'
+            assert (
+                f'{exported_setup_filename}' in result.output
+            ), 'Filename should be in terminal output but was not found.'
+            assert os.path.exists(
+                exported_setup_filename
+            ), f"'{exported_setup_filename}' was not created during export."
+
+            # verifying correctness by comparing internal and loaded yml object
+            with open(exported_setup_filename, 'r', encoding='utf-8') as yfhandle:
+                configure_setup_data = yaml.safe_load(yfhandle)
+            assert configure_setup_data == self.comp_builder.get_computer_spec(
+                comp
+            ), 'Internal computer configuration does not agree with exported one.'
+        except Exception:
+            raise
+        finally:
+            if os.path.exists(exported_setup_filename):
+                os.remove(exported_setup_filename)
+
+    def test_computer_export_config(self):
+        """Test if 'verdi computer export config' command works"""
+        self.comp_builder.label = 'test_computer_export_config'
+        self.comp_builder.transport = 'core.ssh'
+        comp = self.comp_builder.new()
+        comp.store()
+
+        exported_config_filename = 'computer-configure.yml'
+        try:
+            result = self.cli_runner(computer_export_config, [comp.label, exported_config_filename])
+            assert 'Error' in result.output, 'Command should have raised an error.'
+
+            comp.configure(safe_interval=0.0)
+            result = self.cli_runner(computer_export_config, [comp.label, exported_config_filename])
+            assert 'Success' in result.output, 'Command should have run successfull.'
+            assert (
+                f'{exported_config_filename}' in result.output
+            ), 'Filename should be in terminal output but was not found.'
+            assert os.path.exists(
+                exported_config_filename
+            ), f"'{exported_config_filename}' was not created during export."
+
+            # verifying correctness by comparing internal and loaded yml object
+            with open(exported_config_filename, 'r', encoding='utf-8') as yfhandle:
+                configure_config_data = yaml.safe_load(yfhandle)
+            assert (
+                configure_config_data == comp.get_configuration()
+            ), 'Internal computer configuration does not agree with exported one.'
+        except Exception:
+            raise
+        finally:
+            if os.path.exists(exported_config_filename):
+                os.remove(exported_config_filename)
+
 
 class TestVerdiComputerCommands:
     """Testing verdi computer commands.