Fix prepare_shell_job_inputs to be compatible with PortableCode

src/aiida_shell/launch.py

@@ -124,17 +124,18 @@ def prepare_shell_job_inputs(  # noqa: PLR0913
     :returns: A dictionary containing prepared inputs for the ShellJob.
     """
     metadata = metadata or {}
-    computer = metadata.get('options', {}).pop('computer', None)
+    options = metadata.get('options', {})
 
-    if computer:
+    if 'computer' in options:
         warnings.warn(
             'Specifying a computer through `metadata.options.computer` in `launch_shell_job` is deprecated. Please use '
             '`metadata.computer` instead.',
             AiidaDeprecationWarning,
             stacklevel=2,
         )
-    else:
-        computer = metadata.pop('computer', None)
+        metadata['computer'] = options.pop('computer')
+
+    computer = metadata.get('computer')
 
     if isinstance(command, str):
         code = prepare_code(command, computer, resolve_command)
@@ -154,7 +155,7 @@ def prepare_shell_job_inputs(  # noqa: PLR0913
         'arguments': arguments,
         'outputs': outputs,
         'parser': parser,
-        'metadata': metadata or {},
+        'metadata': metadata,
     }
     if monitors:
         inputs['monitors'] = monitors

tests/test_launch.py

@@ -7,14 +7,18 @@
 
 import pytest
 from aiida.engine import WorkChain, run_get_node, workfunction
-from aiida.orm import AbstractCode, Computer, Float, Int, RemoteData, SinglefileData, Str
+from aiida.orm import AbstractCode, Computer, Float, InstalledCode, Int, PortableCode, RemoteData, SinglefileData, Str
 
+from aiida_shell import ShellCode
 from aiida_shell.calculations.shell import ShellJob
 from aiida_shell.launch import launch_shell_job, prepare_computer
 
 DATE_COMMAND = shutil.which('date')
 assert DATE_COMMAND is not None, 'The `date` command must be available in order to run the tests.'
 
+ECHO_COMMAND = shutil.which('echo')
+assert ECHO_COMMAND is not None, 'The `echo` command must be available in order to run the tests.'
+
 
 class ShellWorkChain(WorkChain):
     """Implementation of :class:`aiida.engine.processes.workchains.workchain.WorkChain` that submits a ``ShellJob``."""
@@ -375,15 +379,29 @@ def test_preexisting_localhost_no_default_mpiprocs_per_machine(
     Computer.collection.delete(computer.pk)
 
 
-def test_metadata_computer(generate_computer):
-    """Test the ``metadata.computer`` input."""
-    label = 'custom-computer'
-    computer = generate_computer(label=label)
-    assert computer.label == label
+@pytest.mark.parametrize('code_type', ('string', 'shell', 'installed', 'portable'))
+def test_metadata_computer(code_type, generate_computer, tmp_path):
+    """Test that ``metadata.computer`` is respected for different code types."""
+    computer = generate_computer(label=f'computer-{code_type}')
+
+    if code_type == 'string':
+        command = 'echo'
+    elif code_type == 'shell':
+        command = ShellCode(
+            computer=computer, filepath_executable=ECHO_COMMAND, default_calc_job_plugin='core.shell'
+        ).store()
+    elif code_type == 'installed':
+        command = InstalledCode(computer=computer, filepath_executable=ECHO_COMMAND).store()
+    else:
+        filepath_executable = tmp_path / 'echo.sh'
+        filepath_executable.write_text('#!/bin/bash\necho "$@"\n')
+        filepath_executable.chmod(0o755)
+        command = PortableCode(filepath_executable='echo.sh', filepath_files=tmp_path).store()
 
-    _, node = launch_shell_job('date', metadata={'computer': computer})
+    results, node = launch_shell_job(command, arguments=['hello'], metadata={'computer': computer})
     assert node.is_finished_ok
-    assert node.inputs.code.computer.uuid == computer.uuid
+    assert results['stdout'].get_content().strip() == 'hello'
+    assert node.computer.uuid == computer.uuid
 
 
 def test_monitors():