Add the verdi code export command (#5860)

This command takes an `AbstractCode` instance (or subclass thereof) and
dumps a description of its attributes to a YAML file. This file can then
be used in `verdi code create` using the `--config` flag to recreate a
new code instance with the same configuration.

aiida/cmdline/commands/cmd_code.py

@@ -13,6 +13,7 @@
 
 import click
 import tabulate
+import yaml
 
 from aiida.cmdline.commands.cmd_verdi import verdi
 from aiida.cmdline.groups.dynamic import DynamicEntryPointCommandGroup
@@ -235,6 +236,26 @@ def show(code):
     echo.echo(tabulate.tabulate(table))
 
 
+@verdi_code.command()
+@arguments.CODE()
+@arguments.OUTPUT_FILE(type=click.Path(exists=False))
+@with_dbenv()
+def export(code, output_file):
+    """Export code to a yaml file."""
+    code_data = {}
+
+    for key in code.get_cli_options().keys():
+        if key == 'computer':
+            value = getattr(code, key).label
+        else:
+            value = getattr(code, key)
+
+        code_data[key] = str(value)
+
+    with open(output_file, 'w', encoding='utf-8') as yfhandle:
+        yaml.dump(code_data, yfhandle)
+
+
 @verdi_code.command()
 @arguments.CODES()
 @options.DRY_RUN()

aiida/orm/nodes/data/code/abstract.py

@@ -64,7 +64,6 @@ def __init__(
         self.append_text = append_text
         self.prepend_text = prepend_text
         self.use_double_quotes = use_double_quotes
-        self.use_double_quotes = use_double_quotes
         self.is_hidden = is_hidden
 
     @abc.abstractmethod

docs/source/reference/command_line.rst

@@ -75,6 +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.
       hide       Hide one or more codes from `verdi code list`.
       list       List the available codes.
       relabel    Relabel a code.

tests/cmdline/commands/test_code.py

@@ -236,6 +236,31 @@ def test_code_duplicate_ignore(run_cli_command, aiida_local_code_factory, non_in
     assert duplicate.description == ''
 
 
+@pytest.mark.usefixtures('aiida_profile_clean')
+def test_code_export(run_cli_command, aiida_local_code_factory, tmp_path, file_regression):
+    """Test export the code setup to str."""
+    prepend_text = 'module load something\n    some command'
+    code = aiida_local_code_factory('core.arithmetic.add', '/bin/cat', label='code', prepend_text=prepend_text)
+    filepath = tmp_path / 'code.yml'
+    options = [str(code.pk), str(filepath)]
+    run_cli_command(cmd_code.export, options)
+
+    # file regression check
+    with open(filepath, 'r', encoding='utf-8') as fhandle:
+        content = fhandle.read()
+    file_regression.check(content, extension='.yml')
+
+    # round trip test by create code from the config file
+    # we pass the new label to override since cannot have two code with same labels
+    new_label = 'code0'
+    run_cli_command(
+        cmd_code.code_create, ['core.code.installed', '--non-interactive', '--config', filepath, '--label', new_label]
+    )
+    new_code = load_code(new_label)
+    assert code.base.attributes.all == new_code.base.attributes.all
+    assert isinstance(new_code, InstalledCode)
+
+
 @pytest.mark.parametrize('non_interactive_editor', ('vim -cwq',), indirect=True)
 def test_from_config_local_file(non_interactive_editor, run_cli_command, aiida_localhost):
     """Test setting up a code from a config file on disk."""

tests/cmdline/commands/test_code/test_code_export.yml

@@ -0,0 +1,8 @@
+append_text: ''
+computer: localhost
+default_calc_job_plugin: core.arithmetic.add
+description: code
+filepath_executable: /bin/cat
+label: code
+prepend_text: "module load something\n    some command"
+use_double_quotes: 'False'