rename python modules

Author: jan-janssen

README.md

@@ -27,7 +27,7 @@ These two Python functions are combined in the following example workflow:
 tmp_dict = get_prod_and_div(x=1, y=2)
 result = get_sum(x=tmp_dict["prod"], y=tmp_dict["div"])
 ```
-For the workflow representation of these Python functions the Python functions are stored in the [arithmetic_workflow.py](example_workflows/arithmetic/arithmetic_workflow.py)
+For the workflow representation of these Python functions the Python functions are stored in the [arithmetic_workflow.py](example_workflows/arithmetic/workflow.py)
 Python module. The connection of the Python functions are stored in the [workflow_arithmetic.json](example_workflows/arithmetic/workflow.json) 
 JSON file:
 ```
@@ -67,7 +67,7 @@ The corresponding Jupyter notebooks demonstrate this functionality:
 ### Quantum Espresso Workflow
 The second workflow example is the calculation of an energy volume curve with Quantum Espresso. In the first step the 
 initial structure is relaxed, afterward it is strained and the total energy is calculated. 
-* [quantum_espresso_workflow.py](example_workflows/quantum_espresso/quantum_espresso_workflow.py) Python functions 
+* [quantum_espresso_workflow.py](example_workflows/quantum_espresso/workflow.py) Python functions 
 * [workflow_qe.json](example_workflows/quantum_espresso/workflow.json) Workflow definition in the Python Workflow Definition.
 * [environment_qe.yml](example_workflows/quantum_espresso/environment.yml) Conda environment
 
@@ -81,7 +81,7 @@ initial structure is relaxed, afterward it is strained and the total energy is c
 ### NFDI4Ing Scientific Workflow Requirements
 To demonstrate the compatibility of the Python Workflow Definition to file based workflows, the workflow benchmark developed as part of [NFDI4Ing](https://github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements)
 is implemented for all three simulation codes based on a shared workflow definition. 
-* [nfdi_ing_workflow.py](example_workflows/nfdi/nfdi_ing_workflow.py) Python functions 
+* [nfdi_ing_workflow.py](example_workflows/nfdi/workflow.py) Python functions 
 * [workflow_nfdi.json](example_workflows/nfdi/workflow.json) Workflow definition in the Python Workflow Definition.
 
 Additional source files provided with the workflow benchmark:

example_workflows/arithmetic/aiida.ipynb

@@ -46,7 +46,7 @@
    "outputs": [],
    "execution_count": null,
    "source": [
-    "from arithmetic_workflow import (\n",
+    "from workflow import (\n",
     "    get_sum as _get_sum,\n",
     "    get_prod_and_div as _get_prod_and_div,\n",
     ")"

example_workflows/arithmetic/jobflow.ipynb

@@ -65,7 +65,7 @@
    "outputs": [],
    "execution_count": null,
    "source": [
-    "from arithmetic_workflow import (\n",
+    "from workflow import (\n",
     "    get_sum as _get_sum,\n",
     "    get_prod_and_div as _get_prod_and_div,\n",
     ")"

example_workflows/arithmetic/pyiron_base.ipynb

@@ -59,7 +59,7 @@
    "outputs": [],
    "execution_count": null,
    "source": [
-    "from arithmetic_workflow import (\n",
+    "from workflow import (\n",
     "    get_sum as _get_sum,\n",
     "    get_prod_and_div as _get_prod_and_div,\n",
     ")"

example_workflows/arithmetic/workflow.json

@@ -1,7 +1,7 @@
 {
   "nodes": [
-    {"id": 0, "function": "arithmetic_workflow.get_prod_and_div"},
-    {"id": 1, "function": "arithmetic_workflow.get_sum"},
+    {"id": 0, "function": "workflow.get_prod_and_div"},
+    {"id": 1, "function": "workflow.get_sum"},
     {"id": 2, "value": 1},
     {"id": 3, "value": 2}
   ],

…kflows/arithmetic/arithmetic_workflow.py example_workflows/arithmetic/workflow.pyexample_workflows/arithmetic/arithmetic_workflow.py renamed to example_workflows/arithmetic/workflow.py example_workflows/arithmetic/arithmetic_workflow.py renamed to example_workflows/arithmetic/workflow.py

@@ -58,7 +58,7 @@
    "outputs": [],
    "execution_count": null,
    "source": [
-    "from nfdi_ing_workflow import (\n",
+    "from workflow import (\n",
     "    generate_mesh,\n",
     "    convert_to_xdmf as _convert_to_xdmf,\n",
     "    poisson as _poisson,\n",

example_workflows/nfdi/aiida.ipynb

@@ -61,7 +61,7 @@
    "outputs": [],
    "execution_count": null,
    "source": [
-    "from nfdi_ing_workflow import (\n",
+    "from workflow import (\n",
     "    generate_mesh as _generate_mesh, \n",
     "    convert_to_xdmf as _convert_to_xdmf,\n",
     "    poisson as _poisson,\n",

example_workflows/nfdi/jobflow.ipynb

@@ -39,7 +39,7 @@
    "outputs": [],
    "execution_count": null,
    "source": [
-    "from nfdi_ing_workflow import (\n",
+    "from workflow import (\n",
     "    generate_mesh as _generate_mesh, \n",
     "    convert_to_xdmf as _convert_to_xdmf,\n",
     "    poisson as _poisson,\n",

example_workflows/nfdi/pyiron_base.ipynb

@@ -1,11 +1,11 @@
 {
   "nodes": [
-    {"id": 0, "function": "nfdi_ing_workflow.generate_mesh"},
-    {"id": 1, "function": "nfdi_ing_workflow.convert_to_xdmf"},
-    {"id": 2, "function": "nfdi_ing_workflow.poisson"},
-    {"id": 3, "function": "nfdi_ing_workflow.plot_over_line"},
-    {"id": 4, "function": "nfdi_ing_workflow.substitute_macros"},
-    {"id": 5, "function": "nfdi_ing_workflow.compile_paper"},
+    {"id": 0, "function": "workflow.generate_mesh"},
+    {"id": 1, "function": "workflow.convert_to_xdmf"},
+    {"id": 2, "function": "workflow.poisson"},
+    {"id": 3, "function": "workflow.plot_over_line"},
+    {"id": 4, "function": "workflow.substitute_macros"},
+    {"id": 5, "function": "workflow.compile_paper"},
     {"id": 6, "value": 2.0}
   ],
   "edges": [