diff --git a/.github/workflows/on-push.yml b/.github/workflows/on-push.yml new file mode 100644 index 0000000..5c90159 --- /dev/null +++ b/.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 . diff --git a/docs/tutorials/pipeline.ipynb b/docs/tutorials/pipeline.ipynb index afebaec..afef778 100644 --- a/docs/tutorials/pipeline.ipynb +++ b/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", + "}" ] }, { diff --git a/pyproject.toml b/pyproject.toml index 7977071..6162b98 100644 --- a/pyproject.toml +++ b/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 = [ diff --git a/qkernel/hamiltonian.py b/qkernel/hamiltonian.py index 3c31bb5..99d581b 100644 --- a/qkernel/hamiltonian.py +++ b/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. diff --git a/qkernel/kernel.py b/qkernel/kernel.py index 6f71caa..eb60ef1 100644 --- a/qkernel/kernel.py +++ b/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 diff --git a/qkernel/pipeline.py b/qkernel/pipeline.py index 2a45240..7456d8e 100644 --- a/qkernel/pipeline.py +++ b/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. diff --git a/qkernel/simulator.py b/qkernel/simulator.py index 07a1cff..d695522 100644 --- a/qkernel/simulator.py 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