Dump node repository contents for PortableCode on _prepare_.

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

@@ -11,7 +11,6 @@
 from __future__ import annotations
 
 import abc
-import contextlib
 import functools
 import pathlib
 import typing as t
@@ -391,16 +390,15 @@ def _prepare_yaml(self, *args, **kwargs):
         sort = kwargs.get('sort', False)
 
         for key in self.Model.model_fields.keys():
-            with contextlib.suppress(AttributeError):
-                value = getattr(self, key).label if key == 'computer' else getattr(self, key)
+            value = getattr(self, key).label if key == 'computer' else getattr(self, key)
 
-                # If the attribute is not set, for example ``with_mpi`` do not export it
-                # so that there are no null-values in the resulting YAML file
-                if value is not None:
-                    code_data[key] = str(value)
+            # If the attribute is not set, for example ``with_mpi`` do not export it
+            # so that there are no null-values in the resulting YAML file
+            if value is not None:
+                code_data[key] = str(value)
 
         return yaml.dump(code_data, sort_keys=sort, encoding='utf-8'), {}
 
     def _prepare_yml(self, *args, **kwargs):
-        """Also allow for export as .yaml"""
+        """Also allow for export as .yml"""
         return self._prepare_yaml(*args, **kwargs)

src/aiida/orm/nodes/data/code/portable.py

@@ -19,6 +19,7 @@
 
 from __future__ import annotations
 
+import logging
 import pathlib
 import typing as t
 
@@ -34,6 +35,7 @@
 from .legacy import Code
 
 __all__ = ('PortableCode',)
+_LOGGER = logging.getLogger(__name__)
 
 
 class PortableCode(Code):
@@ -177,3 +179,16 @@ def filepath_executable(self, value: str) -> None:
             raise ValueError('The `filepath_executable` should not be absolute.')
 
         self.base.attributes.set(self._KEY_ATTRIBUTE_FILEPATH_EXECUTABLE, value)
+
+    def _prepare_yaml(self, *args, **kwargs):
+        """Export code to a YAML file."""
+        target_path = pathlib.Path().cwd() / f'portablecode-{self.pk}'
+        setattr(self, 'filepath_files', str(target_path))
+        self.base.repository.copy_tree(target=target_path)
+        _LOGGER.warning(f'Repository files for PortableCode <{self.pk}> dumped to folder `{target_path}`.')
+
+        return super()._prepare_yaml(*args, **kwargs)
+
+    def _prepare_yml(self, *args, **kwargs):
+        """Also allow for export as .yml"""
+        return self._prepare_yaml(*args, **kwargs)

tests/orm/data/code/test_portable.py

@@ -96,3 +96,20 @@ def test_get_execname(tmp_path):
     code = PortableCode(label='some-label', filepath_executable='bash', filepath_files=tmp_path)
     with pytest.warns(AiidaDeprecationWarning):
         assert code.get_execname() == 'bash'
+
+
+def test_portablecode_repo_dump(tmp_path, chdir_tmp_path):
+    """Test that the node repository contents of an orm.PortableCode are dumped upon YAML export."""
+    filepath_files = tmp_path / 'tmp'
+    filepath_files.mkdir()
+    (filepath_files / 'bash').touch()
+    (filepath_files / 'subdir').mkdir()
+    (filepath_files / 'subdir/test').touch()
+    code = PortableCode(label='some-label', filepath_executable='bash', filepath_files=filepath_files)
+    code.store()
+    chdir_tmp_path
+    code._prepare_yaml()
+    repo_dump_path = tmp_path / f'portablecode-{code.pk}'
+    assert repo_dump_path.is_dir()
+    assert (repo_dump_path / 'bash').is_file()
+    assert (repo_dump_path / 'subdir/test').is_file()