Rename simple to arithmetic (#70)

* Rename simple to arithmetic

* fix

* another fix

* rename file

Author: jan-janssen

.github/workflows/pipeline.yml

@@ -67,7 +67,7 @@ jobs:
         papermill pyiron_base_qe.ipynb pyiron_base_qe_out.ipynb -k "python3"
         papermill universal_workflow_qe.ipynb universal_workflow_qe_out.ipynb -k "python3"
 
-  simple:
+  arithmetic:
     runs-on: ubuntu-latest
     steps:
     - uses: actions/checkout@v4
@@ -86,10 +86,10 @@ jobs:
     - name: Tests
       shell: bash -l {0}
       run: |
-        papermill aiida_simple.ipynb aiida_simple_out.ipynb -k "python3"
-        papermill jobflow_simple.ipynb jobflow_simple_out.ipynb -k "python3"
-        papermill pyiron_base_simple.ipynb pyiron_base_simple_out.ipynb -k "python3"
-        papermill universal_workflow_simple.ipynb universal_workflow_simple_out.ipynb -k "python3"
+        papermill aiida_arithmetic.ipynb aiida_arithmetic_out.ipynb -k "python3"
+        papermill jobflow_arithmetic.ipynb jobflow_arithmetic_out.ipynb -k "python3"
+        papermill pyiron_base_arithmetic.ipynb pyiron_base_arithmetic_out.ipynb -k "python3"
+        papermill universal_workflow_arithmetic.ipynb universal_workflow_arithmetic_out.ipynb -k "python3"
 
   book:
     runs-on: ubuntu-latest

README.md

@@ -27,8 +27,8 @@ 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 [simple_workflow.py](simple_workflow.py)
-Python module. The connection of the Python functions are stored in the [workflow_simple.json](workflow_simple.json) 
+For the workflow representation of these Python functions the Python functions are stored in the [arithmetic_workflow.py](arithmetic_workflow.py)
+Python module. The connection of the Python functions are stored in the [workflow_arithmetic.json](workflow_arithmetic.json) 
 JSON file:
 ```
 {
@@ -57,12 +57,12 @@ library.
 
 The corresponding Jupyter notebooks demonstrate this functionality:
 
-| Example                                                            | Explanation                                                                                                               | 
-|--------------------------------------------------------------------|---------------------------------------------------------------------------------------------------------------------------|
-| [aiida_simple.ipynb](aiida_simple.ipynb)                           | Define Workflow with aiida and execute it with jobflow and pyiron_base.                                                   |
-| [jobflow_simple.ipynb](jobflow_simple.ipynb)                       | Define Workflow with jobflow and execute it with aiida and pyiron_base.                                                   |
-| [pyiron_base_simple.ipynb](pyiron_base_simple.ipynb)               | Define Workflow with pyiron_base and execute it with aiida and jobflow.                                                   |
-| [universal_workflow_simple.ipynb](universal_workflow_simple.ipynb) | Execute workflow defined in the Python Workflow Definition with aiida, executorlib, jobflow, pyiron_base and pure Python. |
+| Example                                                                    | Explanation                                                                                                               | 
+|----------------------------------------------------------------------------|---------------------------------------------------------------------------------------------------------------------------|
+| [aiida_arithmetic.ipynb](aiida_arithmetic.ipynb)                           | Define Workflow with aiida and execute it with jobflow and pyiron_base.                                                   |
+| [jobflow_arithmetic.ipynb](jobflow_arithmetic.ipynb)                       | Define Workflow with jobflow and execute it with aiida and pyiron_base.                                                   |
+| [pyiron_base_arithmetic.ipynb](pyiron_base_arithmetic.ipynb)               | Define Workflow with pyiron_base and execute it with aiida and jobflow.                                                   |
+| [universal_workflow_arithmetic.ipynb](universal_workflow_arithmetic.ipynb) | Execute workflow defined in the Python Workflow Definition with aiida, executorlib, jobflow, pyiron_base and pure Python. |
 
 ### Quantum Espresso Workflow
 The second workflow example is the calculation of an energy volume curve with Quantum Espresso. In the first step the 

aiida_simple.ipynb aiida_arithmetic.ipynbaiida_simple.ipynb renamed to aiida_arithmetic.ipynb

@@ -43,7 +43,7 @@
   {
    "cell_type": "code",
    "source": [
-    "from simple_workflow import (\n",
+    "from arithmetic_workflow import (\n",
     "    get_sum as _get_sum,\n",
     "    get_prod_and_div as _get_prod_and_div,\n",
     ")"
@@ -56,7 +56,7 @@
   },
   {
    "cell_type": "code",
-   "source": "wg = WorkGraph(\"wg-simple\")",
+   "source": "wg = WorkGraph(\"arithmetic\")",
    "metadata": {
     "trusted": true
    },

simple_workflow.py arithmetic_workflow.pysimple_workflow.py renamed to arithmetic_workflow.py

@@ -2,11 +2,11 @@ format: jb-book
 root: README
 chapters:
 - file: intro.md
-- file: simple.md
+- file: arithmetic.md
   sections:
-    - file: aiida_simple.ipynb
-    - file: jobflow_simple.ipynb
-    - file: pyiron_base_simple.ipynb
+    - file: aiida_arithmetic.ipynb
+    - file: jobflow_arithmetic.ipynb
+    - file: pyiron_base_arithmetic.ipynb
 - file: evcurve.md
   sections:
     - file: aiida_qe.ipynb

book/_toc.yml

@@ -1,4 +1,4 @@
-# Simple Workflow
+# Arithmetic Workflow
 As a first example we define two Python functions which add multiple inputs: 
 ```python
 def get_sum(x, y):
@@ -12,14 +12,14 @@ 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 [simple_workflow.py](simple_workflow.py)
-Python module. The connection of the Python functions are stored in the [workflow_simple.json](workflow_simple.json) 
+For the workflow representation of these Python functions the Python functions are stored in the [arithmetic_workflow.py](arithmetic_workflow.py)
+Python module. The connection of the Python functions are stored in the [workflow_arithmetic.json](workflow_arithmetic.json) 
 JSON file:
 ```
 {
   "nodes": [
-    {"id": 0, "function": "simple_workflow.get_prod_and_div"},
-    {"id": 1, "function": "simple_workflow.get_sum"},
+    {"id": 0, "function": "arithmetic_workflow.get_prod_and_div"},
+    {"id": 1, "function": "arithmetic_workflow.get_sum"},
     {"id": 2, "value": 1},
     {"id": 3, "value": 2}
   ],

book/simple.md book/arithmetic.mdbook/simple.md renamed to book/arithmetic.md

@@ -63,7 +63,7 @@
    "id": "fb847d49-7bf9-4839-9b99-c116d1b0e9ee",
    "cell_type": "code",
    "source": [
-    "from simple_workflow import (\n",
+    "from arithmetic_workflow import (\n",
     "    get_sum as _get_sum,\n",
     "    get_prod_and_div as _get_prod_and_div,\n",
     ")"

jobflow_simple.ipynb jobflow_arithmetic.ipynbjobflow_simple.ipynb renamed to jobflow_arithmetic.ipynb

@@ -57,7 +57,7 @@
    "id": "fb847d49-7bf9-4839-9b99-c116d1b0e9ee",
    "cell_type": "code",
    "source": [
-    "from simple_workflow import (\n",
+    "from arithmetic_workflow import (\n",
     "    get_sum as _get_sum,\n",
     "    get_prod_and_div as _get_prod_and_div,\n",
     ")"
@@ -71,7 +71,7 @@
   {
    "id": "8f95244e",
    "cell_type": "code",
-   "source": "workflow_json_filename = \"pyiron_base_simple.json\"",
+   "source": "workflow_json_filename = \"pyiron_arithmetic.json\"",
    "metadata": {
     "trusted": true
    },

pyiron_base_simple.ipynb pyiron_base_arithmetic.ipynbpyiron_base_simple.ipynb renamed to pyiron_base_arithmetic.ipynb

@@ -42,7 +42,7 @@
   },
   {
    "cell_type": "code",
-   "source": "plot(file_name='workflow_simple.json')",
+   "source": "plot(file_name='workflow_arithmetic.json')",
    "metadata": {
     "trusted": true
    },
@@ -83,7 +83,7 @@
   },
   {
    "cell_type": "code",
-   "source": "workgraph = load_workflow_json(file_name='workflow_simple.json')",
+   "source": "workgraph = load_workflow_json(file_name='workflow_arithmetic.json')",
    "metadata": {
     "trusted": true
    },
@@ -153,7 +153,7 @@
   },
   {
    "cell_type": "code",
-   "source": "with SingleNodeExecutor(max_workers=1) as exe:\n    result = load_workflow_json(file_name=\"workflow_simple.json\", exe=exe).result()",
+   "source": "with SingleNodeExecutor(max_workers=1) as exe:\n    result = load_workflow_json(file_name=\"workflow_arithmetic.json\", exe=exe).result()",
    "metadata": {
     "trusted": true
    },
@@ -209,7 +209,7 @@
   },
   {
    "cell_type": "code",
-   "source": "flow = load_workflow_json(file_name=\"workflow_simple.json\")",
+   "source": "flow = load_workflow_json(file_name=\"workflow_arithmetic.json\")",
    "metadata": {
     "trusted": true
    },
@@ -256,7 +256,7 @@
   {
    "cell_type": "code",
    "source": [
-    "delayed_object_lst = load_workflow_json(file_name=\"workflow_simple.json\")\n",
+    "delayed_object_lst = load_workflow_json(file_name=\"workflow_arithmetic.json\")\n",
     "delayed_object_lst[-1].draw()"
    ],
    "metadata": {
@@ -313,7 +313,7 @@
   },
   {
    "cell_type": "code",
-   "source": "load_workflow_json(file_name=\"workflow_simple.json\")",
+   "source": "load_workflow_json(file_name=\"workflow_arithmetic.json\")",
    "metadata": {
     "trusted": true
    },

universal_workflow_simple.ipynb universal_workflow_arithmetic.ipynbuniversal_workflow_simple.ipynb renamed to universal_workflow_arithmetic.ipynb

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