Merge main

.ci_support/environment-docs.yml

@@ -19,7 +19,7 @@ dependencies:
 - psutil =6.0.0
 - pyfileindex =0.0.27
 - pyiron_snippets =0.1.4
-- executorlib =0.0.1
+- executorlib =0.0.2
 - pysqa =0.1.21
 - pytables =3.10.1
 - sqlalchemy =2.0.32

.ci_support/environment-mini.yml

@@ -10,7 +10,7 @@ dependencies:
 - psutil =6.0.0
 - pyfileindex =0.0.27
 - pyiron_snippets =0.1.3
-- executorlib =0.0.1
+- executorlib =0.0.2
 - pysqa =0.1.21
 - pytables =3.10.1
 - sqlalchemy =2.0.32

.ci_support/environment.yml

@@ -17,7 +17,7 @@ dependencies:
 - psutil =6.0.0
 - pyfileindex =0.0.27
 - pyiron_snippets =0.1.4
-- executorlib =0.0.1
+- executorlib =0.0.2
 - pysqa =0.1.21
 - pytables =3.10.1
 - sqlalchemy =2.0.32

binder/environment.yml

@@ -16,7 +16,7 @@ dependencies:
 - psutil =6.0.0
 - pyfileindex =0.0.27
 - pyiron_snippets =0.1.4
-- executorlib =0.0.1
+- executorlib =0.0.2
 - pysqa =0.1.21
 - pytables =3.10.1
 - sqlalchemy =2.0.32

pyiron_base/jobs/job/extension/executable.py

@@ -3,7 +3,7 @@
 # Distributed under the terms of "New BSD License", see the LICENSE file.
 
 import os
-from dataclasses import asdict
+from dataclasses import asdict, fields
 
 from pyiron_snippets.resources import ExecutableResolver
 
@@ -218,14 +218,7 @@ def _to_dict(self):
         return asdict(self.storage)
 
     def _from_dict(self, obj_dict, version=None):
-        data_container_keys = [
-            "version",
-            "name",
-            "operation_system_nt",
-            "executable",
-            "mpi",
-            "accepted_return_codes",
-        ]
+        data_container_keys = tuple(f.name for f in fields(ExecutableDataClass))
         executable_class_dict = {}
         # Backwards compatibility; dict state used to be nested one level deeper
         if "executable" in obj_dict.keys() and isinstance(obj_dict["executable"], dict):

pyiron_base/jobs/job/util.py

@@ -95,12 +95,12 @@ def _get_project_for_copy(job, project, new_job_name):
     ):
         file_project = project.project
         hdf5_project = project.project_hdf5.open(new_job_name)
-    elif isinstance(project, job.project.__class__):
+    elif isinstance(job.project, project.__class__):
         file_project = project
         hdf5_project = job.project_hdf5.__class__(
             project=project, file_name=new_job_name, h5_path="/" + new_job_name
         )
-    elif isinstance(project, job.project_hdf5.__class__):
+    elif isinstance(job.project_hdf5, project.__class__):
         file_project = project.project
         hdf5_project = project.open(new_job_name)
     elif project is None:

pyiron_base/project/archiving/import_archive.py

@@ -1,4 +1,5 @@
 import os
+import posixpath
 import tarfile
 import tempfile
 from shutil import copytree
@@ -57,8 +58,8 @@ def import_jobs(project_instance, archive_directory):
 
     pr_import = project_instance.open(os.curdir)
     df["project"] = [
-        os.path.normpath(
-            os.path.join(pr_import.project_path, os.path.relpath(p, common_path))
+        posixpath.normpath(
+            posixpath.join(pr_import.project_path, posixpath.relpath(p, common_path))
         )
         + "/"
         for p in df["project"].values
@@ -105,8 +106,8 @@ def transfer_files(origin_path: str, project_path: str):
         str: Common path.
     """
     df = get_dataframe(origin_path=origin_path)
-    common_path = os.path.commonpath(list(df["project"]))
-    copytree(os.path.join(origin_path, common_path), project_path, dirs_exist_ok=True)
+    common_path = posixpath.commonpath(list(df["project"]))
+    copytree(posixpath.join(origin_path, common_path), project_path, dirs_exist_ok=True)
     return df, common_path
 
 

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
 ]
 dependencies = [
     "cloudpickle==3.0.0",
-    "executorlib==0.0.1",
+    "executorlib==0.0.2",
     "h5io_browser==0.1.0",
     "h5py==3.11.0",
     "numpy==2.1.0",

tests/static/pack/export.csv

@@ -0,0 +1,2 @@
+,id,status,chemicalformula,job,subjob,project,timestart,timestop,totalcputime,computer,hamilton,hamversion,parentid,masterid
+0,0,finished,,toy,/toy,test_pack/my_project,2024-08-22 16:10:26.556984,,,pyiron@7720454e9ac5#1,ToyJob,0.4,,

tests/unit/archiving/test_import.py

@@ -3,7 +3,7 @@
 from pyiron_base import Project
 from pandas._testing import assert_frame_equal
 from filecmp import dircmp
-from shutil import rmtree
+from shutil import rmtree, copytree
 import tarfile
 from pyiron_base._tests import PyironTestCase, ToyJob
 
@@ -181,5 +181,26 @@ def test_backwards_compatibility(self):
             self.imp_pr.unpack(origin_path=self.arch_dir_comp, csv_file_name="ahoy.csv")
 
 
+class TestUnpackingBackwardsCompatibility(PyironTestCase):
+    def test_import_old_tar(self):
+        copytree(
+            os.path.join(
+                os.path.dirname(os.path.abspath(__file__)),
+                "../../static/pack",
+            ),
+            os.getcwd(),
+            dirs_exist_ok=True,
+        )
+        pr = Project("old_tar")
+        pr.unpack(origin_path="test_pack.tar.gz")
+        job = pr.load("toy")
+        self.assertEqual(job.job_name, "toy")
+        self.assertEqual(job.input.data_in, 100)
+        self.assertEqual(job.output.data_out, 101)
+        pr.remove(enable=True, enforce=True)
+        os.remove("test_pack.tar.gz")
+        os.remove("export.csv")
+
+
 if __name__ == "__main__":
     unittest.main()