Set default filename for RemoteData if no filenames passed

src/aiida_shell/calculations/shell.py

@@ -346,10 +346,39 @@ def handle_remote_data_nodes(
         instructions = []
 
         for key, node in remote_data_nodes.items():
+            remote_path = node.get_remote_path()
+
+            authinfo = node.get_authinfo()
+            transport = authinfo.get_transport()
+
+            with transport:
+                if not transport.path_exists(path=remote_path):
+                    msg = f"Remote path `{remote_path}` for node with key `{key}` does not exist"
+                    raise ValueError(msg)
+
+                remote_is_file = transport.isfile(remote_path)
+
+            # Resolve filename
             if key in filenames:
-                instructions.append((computer.uuid, node.get_remote_path(), filenames[key]))
+                filename = filenames[key]
+                # For directory paths with explicit filenames, preserve original behavior
+                # (copy the entire directory, not just its contents)
+                if not remote_is_file:
+                    source_path = remote_path
+                    instructions.append((computer.uuid, source_path, filename))
+                    continue
+            elif remote_is_file:
+                filename = pathlib.Path(remote_path).name
+            else:
+                filename = '.'
+
+            # Resolve source_path
+            if remote_is_file:
+                source_path = remote_path
             else:
-                instructions.append((computer.uuid, f'{node.get_remote_path()}/*', '.'))
+                source_path = f"{remote_path}/*"
+
+            instructions.append((computer.uuid, source_path, filename))
 
         if use_symlinks:
             return [], instructions
@@ -480,7 +509,18 @@ def prepare_filenames(self, nodes: dict[str, SinglefileData], filenames: dict[st
                             f'node `{key}` contains the file `{f}` which overlaps with a reserved output filename.'
                         )
             elif isinstance(node, RemoteData):
+                remote_path = node.get_remote_path()
                 filename = filenames.get(key, None)
+
+                authinfo = node.get_authinfo()
+                transport = authinfo.get_transport()
+
+                with transport:
+                    remote_is_file = transport.isfile(remote_path)
+
+                if not filename and remote_is_file:
+                    filename = pathlib.Path(remote_path).name
+                    filenames[key] = filename
             else:
                 continue
 

tests/calculations/test_shell.py

@@ -115,17 +115,32 @@ def test_nodes_remote_data_filename(generate_calc_job, generate_code, tmp_path,
     remote_path_b.mkdir()
     (remote_path_a / 'file_a.txt').write_text('content a')
     (remote_path_b / 'file_b.txt').write_text('content b')
+
+    remote_path_c = tmp_path / 'remote_c' / 'file_c.txt'
+    remote_path_d = tmp_path / 'remote_d' / 'file_d.txt'
+    remote_path_c.parent.mkdir()
+    remote_path_d.parent.mkdir()
+    remote_path_c.write_text('content c')
+    remote_path_d.write_text('content d')
+
     remote_data_a = RemoteData(remote_path=str(remote_path_a.absolute()), computer=aiida_localhost)
     remote_data_b = RemoteData(remote_path=str(remote_path_b.absolute()), computer=aiida_localhost)
+    remote_data_c = RemoteData(remote_path=str(remote_path_c.absolute()), computer=aiida_localhost)
+    remote_data_d = RemoteData(remote_path=str(remote_path_d.absolute()), computer=aiida_localhost)
 
     inputs = {
         'code': generate_code(),
         'arguments': ['{remote_a}'],
         'nodes': {
             'remote_a': remote_data_a,
             'remote_b': remote_data_b,
+            'remote_c': remote_data_c,
+            'remote_d': remote_data_d,
+        },
+        'filenames': {
+            'remote_a': 'target_remote',
+            'remote_c': 'target_remote_file',
         },
-        'filenames': {'remote_a': 'target_remote'},
     }
     dirpath, calc_info = generate_calc_job('core.shell', inputs)
 
@@ -136,6 +151,8 @@ def test_nodes_remote_data_filename(generate_calc_job, generate_code, tmp_path,
     assert sorted(calc_info.remote_copy_list) == [
         (aiida_localhost.uuid, str(remote_path_a), 'target_remote'),
         (aiida_localhost.uuid, str(remote_path_b / '*'), '.'),
+        (aiida_localhost.uuid, str(remote_path_c), 'target_remote_file'),
+        (aiida_localhost.uuid, str(remote_path_d), 'file_d.txt'),
     ]
     assert sorted(p.name for p in dirpath.iterdir()) == []
 

tests/test_launch.py

@@ -166,6 +166,7 @@ def test_nodes_remote_data(tmp_path, aiida_localhost, use_symlinks):
 
 def test_nodes_remote_data_filename(tmp_path_factory, aiida_localhost):
     """Test copying contents of a ``RemoteData`` to specific subdirectory."""
+    # For `RemoteData` pointing to a directory
     dirpath_remote = tmp_path_factory.mktemp('remote')
     dirpath_source = dirpath_remote / 'source'
     dirpath_source.mkdir()
@@ -185,6 +186,26 @@ def test_nodes_remote_data_filename(tmp_path_factory, aiida_localhost):
     assert (dirpath_working / 'sub_directory' / 'source').is_dir()
     assert (dirpath_working / 'sub_directory' / 'source' / 'file.txt').is_file()
 
+    # For `RemoteData` pointing to a file
+    dirpath_remote = tmp_path_factory.mktemp('remote_file')
+    dirpath_source = dirpath_remote / 'source'
+    dirpath_source.mkdir()
+    filepath_source = (dirpath_source / 'file.txt')
+    filepath_source.touch()
+    remote_data = RemoteData(remote_path=str(filepath_source), computer=aiida_localhost)
+
+    results, node = launch_shell_job(
+        'echo',
+        arguments=['{remote}'],
+        nodes={'remote': remote_data},
+        filenames={'remote': 'sub_file'},
+    )
+    assert node.is_finished_ok
+    assert results['stdout'].get_content().strip() == 'sub_file'
+    dirpath_working = pathlib.Path(node.outputs.remote_folder.get_remote_path())
+    assert (dirpath_working).is_dir()
+    assert (dirpath_working / 'sub_file').is_file()
+
 
 def test_nodes_base_types():
     """Test a shellfunction that specifies positional CLI arguments that are interpolated by the ``kwargs``."""