From 9262b2c600324fea05efe44658418a0e13b22db7 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 16 May 2025 10:25:18 +0200 Subject: [PATCH 1/5] Update pyproject.toml --- python_workflow_definition/pyproject.toml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/python_workflow_definition/pyproject.toml b/python_workflow_definition/pyproject.toml index 87b8e4c..93777db 100644 --- a/python_workflow_definition/pyproject.toml +++ b/python_workflow_definition/pyproject.toml @@ -19,7 +19,7 @@ dependencies = [ "aiida-workgraph>=0.5.1,<=0.5.2", "numpy>=1.21,<2", "jobflow>=0.1.18,<=0.1.19", - "pyiron_base>=0.11.10,<=0.11.11", + "pyiron_base>=0.11.10,<=0.12.0", "pydantic>=2.7.0,<=2.11.4", ] @@ -28,4 +28,4 @@ plot = [ "pygraphviz>=1.10,<=1.14", "networkx>=2.8.8,<=3.4.2", "ipython>=7.33.0,<=9.0.2", -] \ No newline at end of file +] From 03db5ff363bbceb71f5559e9ba483a938981129d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 16 May 2025 10:25:40 +0200 Subject: [PATCH 2/5] Update environment.yml --- binder/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/binder/environment.yml b/binder/environment.yml index 00be8de..a67ae79 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -7,7 +7,7 @@ dependencies: - hatchling =1.27.0 - httpcore =1.0.7 - jobflow =0.1.19 -- pyiron_base =0.11.11 +- pyiron_base =0.12.0 - pygraphviz =1.14 - aiida-workgraph =0.5.2 - conda_subprocess =0.0.6 From 8d5907ff113de935565175e564aaa8f5220b7e6e Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 16 May 2025 10:25:58 +0200 Subject: [PATCH 3/5] Update environment.yml --- binder/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/binder/environment.yml b/binder/environment.yml index a67ae79..a5957e1 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -10,6 +10,6 @@ dependencies: - pyiron_base =0.12.0 - pygraphviz =1.14 - aiida-workgraph =0.5.2 -- conda_subprocess =0.0.6 +- conda_subprocess =0.0.7 - networkx =3.4.2 - cwltool =3.1.20250110105449 From 92e7988edaaf03b5779f244d9f6b40867a500f52 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 16 May 2025 10:30:13 +0200 Subject: [PATCH 4/5] Update executorlib.py --- .../src/python_workflow_definition/executorlib.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python_workflow_definition/src/python_workflow_definition/executorlib.py b/python_workflow_definition/src/python_workflow_definition/executorlib.py index 807dfcf..d02e0e4 100644 --- a/python_workflow_definition/src/python_workflow_definition/executorlib.py +++ b/python_workflow_definition/src/python_workflow_definition/executorlib.py @@ -72,7 +72,7 @@ def load_workflow_json(file_name: str, exe: Executor): ) for k, v in lst[1].items() } - result_dict[lst[0]] = exe.submit(node, **kwargs) + result_dict[lst[0]] = exe.submit(fn=node, **kwargs) last_key = lst[0] return result_dict[last_key] From 083e1573563976c6ee4c86ce7e37ac9bc40d3289 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sat, 17 May 2025 06:09:24 +0200 Subject: [PATCH 5/5] Update executorlib.py --- .../src/python_workflow_definition/executorlib.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/python_workflow_definition/src/python_workflow_definition/executorlib.py b/python_workflow_definition/src/python_workflow_definition/executorlib.py index d02e0e4..3a494cd 100644 --- a/python_workflow_definition/src/python_workflow_definition/executorlib.py +++ b/python_workflow_definition/src/python_workflow_definition/executorlib.py @@ -34,7 +34,7 @@ def _get_value(result_dict: dict, nodes_new_dict: dict, link_dict: dict, exe: Ex if source_handle is None: return result else: - return exe.submit(fn=get_item, obj=result, key=source_handle) + return exe.submit(get_item, obj=result, key=source_handle) def load_workflow_json(file_name: str, exe: Executor): @@ -72,7 +72,7 @@ def load_workflow_json(file_name: str, exe: Executor): ) for k, v in lst[1].items() } - result_dict[lst[0]] = exe.submit(fn=node, **kwargs) + result_dict[lst[0]] = exe.submit(node, **kwargs) last_key = lst[0] return result_dict[last_key]