Merge branch 'main' into Transport-Engine__factor-out-cwd

docs/source/reference/command_line.rst

@@ -197,6 +197,7 @@ Below is a list with all available subcommands.
       check-load-time          Check for common indicators that slowdown `verdi`.
       check-undesired-imports  Check that verdi does not import python modules it shouldn't.
       launch-add               Launch an ``ArithmeticAddCalculation``.
+      launch-multiply-add      Launch a ``MultipylAddWorkChain``.
       rabbitmq                 Commands to interact with RabbitMQ.
       run-sql                  Run a raw SQL command on the profile database (only...
       validate-plugins         Validate all plugins by checking they can be loaded.

src/aiida/cmdline/commands/cmd_devel.py

@@ -180,6 +180,57 @@ def devel_launch_arithmetic_add(code, daemon, sleep):
             echo.echo_warning(f'ArithmeticAddCalculation<{node.pk}> did not finish successfully.')
 
 
+@verdi_devel.command('launch-multiply-add')
+@options.CODE(type=types.CodeParamType(entry_point='core.arithmetic.add'))
+@click.option('-d', '--daemon', is_flag=True, help='Submit to the daemon instead of running blockingly.')
+def devel_launch_multiply_add(code, daemon):
+    """Launch a ``MultipylAddWorkChain``.
+
+    Unless specified with the option ``--code``, a suitable ``Code`` is automatically setup. By default the command
+    configures ``bash`` on the ``localhost``. If the localhost is not yet configured as a ``Computer``, that is also
+    done automatically.
+    """
+    from shutil import which
+
+    from aiida.engine import run_get_node, submit
+    from aiida.orm import InstalledCode, Int, load_code
+    from aiida.plugins.factories import WorkflowFactory
+
+    default_calc_job_plugin = 'core.arithmetic.add'
+
+    if not code:
+        try:
+            code = load_code('bash@localhost')
+        except exceptions.NotExistent:
+            localhost = prepare_localhost()
+            code = InstalledCode(
+                label='bash',
+                computer=localhost,
+                filepath_executable=which('bash'),
+                default_calc_job_plugin=default_calc_job_plugin,
+            ).store()
+        else:
+            assert code.default_calc_job_plugin == default_calc_job_plugin
+
+    multiply_add = WorkflowFactory('core.arithmetic.multiply_add')
+    inputs = {
+        'x': Int(1),
+        'y': Int(1),
+        'z': Int(1),
+        'code': code,
+    }
+
+    if daemon:
+        node = submit(multiply_add, inputs=inputs)
+        echo.echo_success(f'Submitted workflow `{node}`')
+    else:
+        _, node = run_get_node(multiply_add, inputs)
+        if node.is_finished_ok:
+            echo.echo_success(f'MultiplyAddWorkChain<{node.pk}> finished successfully.')
+        else:
+            echo.echo_warning(f'MultiplyAddWorkChain<{node.pk}> did not finish successfully.')
+
+
 def prepare_localhost():
     """Prepare and return the localhost as ``Computer``.
 

tests/cmdline/commands/test_devel.py

@@ -12,7 +12,7 @@
 
 import pytest
 from aiida.cmdline.commands import cmd_devel
-from aiida.orm import Node, ProcessNode, QueryBuilder
+from aiida.orm import Node, ProcessNode, QueryBuilder, WorkChainNode
 
 
 @pytest.mark.requires_psql
@@ -23,6 +23,7 @@ def test_run_sql(run_cli_command):
     assert str(Node.collection.count()) in result.output, result.output
 
 
+@pytest.mark.usefixtures('aiida_profile_clean')
 def test_launch_add(run_cli_command):
     """Test ``verdi devel launch-add``.
 
@@ -56,3 +57,39 @@ def test_launch_add_code(run_cli_command, aiida_code_installed):
 
     node = QueryBuilder().append(ProcessNode, tag='node').order_by({'node': {'ctime': 'desc'}}).first(flat=True)
     assert node.is_finished_ok
+
+
+@pytest.mark.usefixtures('aiida_profile_clean')
+def test_launch_multiply_add(run_cli_command):
+    """Test ``verdi devel launch-multiply-add``.
+
+    Start with a clean profile such that the functionality that automatically sets up the localhost computer and code is
+    tested properly.
+    """
+    result = run_cli_command(cmd_devel.devel_launch_multiply_add)
+    assert re.search(r'Warning: No `localhost` computer exists yet: creating and configuring', result.stdout)
+    assert re.search(r'Success: MultiplyAddWorkChain<.*> finished successfully', result.stdout)
+
+    node = QueryBuilder().append(WorkChainNode, tag='node').order_by({'node': {'ctime': 'desc'}}).first(flat=True)
+    assert node.is_finished_ok
+
+
+@pytest.mark.usefixtures('started_daemon_client')
+def test_launch_multiply_add_daemon(run_cli_command, submit_and_await):
+    """Test ``verdi devel launch-multiply-add`` with the ``--daemon`` flag."""
+    result = run_cli_command(cmd_devel.devel_launch_multiply_add, ['--daemon'])
+    assert re.search(r'Submitted workflow', result.stdout)
+
+    node = QueryBuilder().append(ProcessNode, tag='node').order_by({'node': {'ctime': 'desc'}}).first(flat=True)
+    submit_and_await(node)
+    assert node.is_finished_ok
+
+
+def test_launch_add_multiply_code(run_cli_command, aiida_code_installed):
+    """Test ``verdi devel launch-multiply-add`` passing an explicit ``Code``."""
+    code = aiida_code_installed(default_calc_job_plugin='core.arithmetic.add', filepath_executable='/bin/bash')
+    result = run_cli_command(cmd_devel.devel_launch_multiply_add, ['-X', str(code.pk)])
+    assert not re.search(r'Warning: No `localhost` computer exists yet: creating and configuring', result.stdout)
+
+    node = QueryBuilder().append(ProcessNode, tag='node').order_by({'node': {'ctime': 'desc'}}).first(flat=True)
+    assert node.is_finished_ok