Simple CI/CD pipeline

.github/workflows/on-push.yml

@@ -0,0 +1,37 @@
+# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
+# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python
+
+name: Python Lint and Format
+
+# Run on every push to any branch.
+on:
+  push:
+  workflow_dispatch: # lets you trigger it manually from the Actions tab
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.12"]
+
+    steps:
+    - uses: actions/checkout@v6
+    # 1. Install uv (much faster than actions/setup-python)
+    - name: Install uv
+      uses: astral-sh/setup-uv@v5
+      with:
+        python-version: ${{ matrix.python-version }}
+        enable-cache: true  # Automatically caches your dependencies
+
+    # 2. Install using uv
+    - name: Install qkernel and testing dependencies
+      run: |
+        uv sync --dev
+
+    # 3. Lint & Format
+    - name: Lint and Format with Ruff
+      run: |
+        uv run ruff check . --output-format github
+        uv run ruff format --check .

docs/tutorials/pipeline.ipynb

@@ -46,12 +46,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "df_train = pd.read_csv(\n",
-    "    \"./train_toy.csv\"\n",
-    ").rename(columns=str.lower)\n",
-    "df_test = pd.read_csv(\n",
-    "    \"./test_toy.csv\"\n",
-    ").rename(columns=str.lower)"
+    "df_train = pd.read_csv(\"./train_toy.csv\").rename(columns=str.lower)\n",
+    "df_test = pd.read_csv(\"./test_toy.csv\").rename(columns=str.lower)"
    ]
   },
   {
@@ -88,8 +84,7 @@
     "x_test_chain = ChainEmbedding(x_test).embed()\n",
     "\n",
     "x_train_radial = RadialEmbedding(x_train).embed()\n",
-    "x_test_radial = RadialEmbedding(x_test).embed()\n",
-    "\n"
+    "x_test_radial = RadialEmbedding(x_test).embed()"
    ]
   },
   {
@@ -232,42 +227,22 @@
    "source": [
     "import numpy as np\n",
     "\n",
-    "pipeline_args = {\"hamiltonian\": {\n",
+    "pipeline_args = {\n",
+    "    \"hamiltonian\": {\n",
     "        \"backend\": \"qutip\",\n",
-    "        \"kwargs\": {\n",
-    "            \"omega\": 2 * np.pi,\n",
-    "            \"delta\": 0.3,\n",
-    "            \"c6\": 865723.02\n",
-    "        }\n",
-    "    },\n",
-    "    \"simulator\": {\n",
-    "        \"backend\": \"qutip\",\n",
-    "        \"kwargs\": {\n",
-    "            \"duration\": 0.68\n",
-    "        }\n",
+    "        \"kwargs\": {\"omega\": 2 * np.pi, \"delta\": 0.3, \"c6\": 865723.02},\n",
     "    },\n",
+    "    \"simulator\": {\"backend\": \"qutip\", \"kwargs\": {\"duration\": 0.68}},\n",
     "    \"kernel\": {\n",
     "        \"kwargs\": {\n",
     "            \"excitations\": False,\n",
     "            \"distance_fn\": \"exp\",\n",
-    "            \"distance_kwargs\": {\n",
-    "                \"mu\": 0.75\n",
-    "            },\n",
+    "            \"distance_kwargs\": {\"mu\": 0.75},\n",
     "        }\n",
     "    },\n",
-    "    \"model\": {\n",
-    "        \"type\": \"svc\",\n",
-    "        \"kwargs\": {\n",
-    "            \"C\": 0.9,\n",
-    "            \"tol\": 0.02\n",
-    "        }\n",
-    "    },\n",
-    "    \"results\": {\n",
-    "    \"path\" :  \"./\",\n",
-    "    \"name\" : \"experiment_trial\"\n",
-    "    }\n",
-    "}\n",
-    "\n"
+    "    \"model\": {\"type\": \"svc\", \"kwargs\": {\"C\": 0.9, \"tol\": 0.02}},\n",
+    "    \"results\": {\"path\": \"./\", \"name\": \"experiment_trial\"},\n",
+    "}"
    ]
   },
   {

pyproject.toml

@@ -16,15 +16,15 @@ authors = [
     {name = "Pablo Suárez Vieites", email = "pablo.suarez@ichec.ie"}
     ]
 version = "0.0.1"
-requires-python = ">=3.8"
+requires-python = ">=3.12"
 dependencies = [
     "myqlm",
     "numpy",
     "pandas",
-    "qkernel4eo",
     "qutip",
     "scipy",
-    "scikit-learn"
+    "scikit-learn",
+    "qkernel4eo",
 ]
 
 
@@ -35,7 +35,7 @@ line-length = 88
 select = ["E", "F", "W", "I"]  # pycodestyle, pyflakes, isort rules
 
 [tool.uv.sources]
-qkernel4eo = { git = "ssh://git@github.com/ICHEC/qkernel4eo.git" }
+qkernel4eo = { git = "https://github.com/ICHEC/qkernel4eo" }
 
 [dependency-groups]
 dev = [

qkernel/hamiltonian.py

@@ -184,7 +184,6 @@ def _qutip_op(
             ops[j] = op_j
         return qutip.tensor(ops)
 
-
     def generate_single_hamiltonian(self, qbits: np.ndarray) -> qutip.Qobj:
         """
         Construct full QuTiP Hamiltonian for a single configuration.

qkernel/kernel.py

@@ -1,4 +1,4 @@
-from typing import Callable, Dict, Optional
+from typing import Dict, Optional
 
 import numpy as np
 from scipy.spatial import distance

qkernel/pipeline.py

@@ -40,7 +40,7 @@ def __init__(
         x_test: np.ndarray,
         y_train: np.ndarray,
         y_test: np.ndarray,
-        args: dict
+        args: dict,
     ):
         """
         Initialize pipeline with configuration arguments and qbit data.

qkernel/simulator.py

@@ -7,13 +7,12 @@
 
 from .hamiltonian import Hamiltonian
 
-
 try:
     import qlmaas.qpus
 
     AQPU_remote = qlmaas.qpus.AnalogQPU()
     qlmaas_available = True
-except:
+except (ModuleNotFoundError, ImportError):
     AQPU_remote = None
     qlmaas_available = False