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..07f6df8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -21,10 +21,9 @@ dependencies = [ "myqlm", "numpy", "pandas", - "qkernel4eo", "qutip", "scipy", - "scikit-learn" + "scikit-learn", ] @@ -34,9 +33,6 @@ line-length = 88 [tool.ruff.lint] select = ["E", "F", "W", "I"] # pycodestyle, pyflakes, isort rules -[tool.uv.sources] -qkernel4eo = { git = "ssh://git@github.com/ICHEC/qkernel4eo.git" } - [dependency-groups] dev = [ "ruff", 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 +++ b/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 diff --git a/uv.lock b/uv.lock index b754aee..5d88863 100644 --- a/uv.lock +++ b/uv.lock @@ -40,7 +40,7 @@ resolution-markers = [ "python_full_version < '3.9'", ] dependencies = [ - { name = "six" }, + { name = "six", marker = "python_full_version < '3.9.2'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/f9/44/2dd9c5d0c3befe899738b930aa056e003b1441bfbf34aab8fce90b2b7dea/anytree-2.12.1.tar.gz", hash = "sha256:244def434ccf31b668ed282954e5d315b4e066c4940b94aff4a7962d85947830", size = 31110, upload-time = "2023-11-16T21:53:02.263Z" } wheels = [ @@ -231,7 +231,7 @@ resolution-markers = [ "python_full_version < '3.9'", ] dependencies = [ - { name = "pycparser", version = "2.23", source = { registry = "https://pypi.org/simple" } }, + { name = "pycparser", version = "2.23", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/fc/97/c783634659c2920c3fc70419e3af40972dbaf758daa229a7d6ea6135c90d/cffi-1.17.1.tar.gz", hash = "sha256:1c39c6016c32bc48dd54561950ebd6836e1670f2ae46128f67cf49e789c52824", size = 516621, upload-time = "2024-09-04T20:45:21.852Z" } wheels = [ @@ -313,7 +313,7 @@ resolution-markers = [ "python_full_version == '3.9'", ] dependencies = [ - { name = "pycparser", version = "2.23", source = { registry = "https://pypi.org/simple" }, marker = "implementation_name != 'PyPy'" }, + { name = "pycparser", version = "2.23", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9.*' and implementation_name != 'PyPy'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/eb/56/b1ba7935a17738ae8453301356628e8147c79dbb825bcbc73dc7401f9846/cffi-2.0.0.tar.gz", hash = "sha256:44d1b5909021139fe36001ae048dbdde8214afa20200eda0f64c068cac5d5529", size = 523588, upload-time = "2025-09-08T23:24:04.541Z" } wheels = [ @@ -422,7 +422,7 @@ resolution-markers = [ "python_full_version == '3.10.*'", ] dependencies = [ - { name = "pycparser", version = "3.0", source = { registry = "https://pypi.org/simple" }, marker = "implementation_name != 'PyPy'" }, + { name = "pycparser", version = "3.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.10' and implementation_name != 'PyPy'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/57/5f/ff100cae70ebe9d8df1c01a00e510e45d9adb5c1fdda84791b199141de97/cffi-2.1.0.tar.gz", hash = "sha256:efc1cdd798b1aaf39b4610bba7aad28c9bea9b910f25c784ccf9ec1fa719d1f9", size = 531036, upload-time = "2026-07-06T21:34:30.382Z" } wheels = [ @@ -535,8 +535,8 @@ resolution-markers = [ "python_full_version < '3.9'", ] dependencies = [ - { name = "numpy", version = "1.24.4", source = { registry = "https://pypi.org/simple" } }, - { name = "scipy", version = "1.10.1", source = { registry = "https://pypi.org/simple" } }, + { name = "numpy", version = "1.24.4", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, + { name = "scipy", version = "1.10.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/bb/93/fb4b178a6697d04690c392289bb504032116eaf9f46c501fb23eb42a069d/clarabel-0.9.0.tar.gz", hash = "sha256:0d6d3fe8800be5b4b5d40a8e14bd492667b3e46cc5dbe37677ce5ed25f0719d4", size = 199359, upload-time = "2024-06-01T17:00:57.472Z" } wheels = [ @@ -572,13 +572,13 @@ resolution-markers = [ "python_full_version == '3.9'", ] dependencies = [ - { name = "cffi", version = "2.0.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.10'" }, + { name = "cffi", version = "2.0.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9.*'" }, { name = "cffi", version = "2.1.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.10'" }, - { name = "numpy", version = "2.0.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.10'" }, + { name = "numpy", version = "2.0.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9.*'" }, { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.10.*'" }, { name = "numpy", version = "2.4.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.11.*'" }, { name = "numpy", version = "2.5.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.12'" }, - { name = "scipy", version = "1.13.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.10'" }, + { name = "scipy", version = "1.13.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9.*'" }, { name = "scipy", version = "1.15.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.10.*'" }, { name = "scipy", version = "1.17.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.11.*'" }, { name = "scipy", version = "1.18.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.12'" }, @@ -618,7 +618,7 @@ resolution-markers = [ "python_full_version < '3.9'", ] dependencies = [ - { name = "numpy", version = "1.24.4", source = { registry = "https://pypi.org/simple" } }, + { name = "numpy", version = "1.24.4", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/b1/7d/087ee4295e7580d3f7eb8a8a4e0ec8c7847e60f34135248ccf831cf5bbfc/contourpy-1.1.1.tar.gz", hash = "sha256:96ba37c2e24b7212a77da85004c38e7c4d155d3e72a45eeaf22c1f03f607e8ab", size = 13433167, upload-time = "2023-09-16T10:25:49.501Z" } wheels = [ @@ -685,7 +685,7 @@ resolution-markers = [ "python_full_version == '3.9'", ] dependencies = [ - { name = "numpy", version = "2.0.2", source = { registry = "https://pypi.org/simple" } }, + { name = "numpy", version = "2.0.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9.*'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/f5/f6/31a8f28b4a2a4fa0e01085e542f3081ab0588eff8e589d39d775172c9792/contourpy-1.3.0.tar.gz", hash = "sha256:7ffa0db17717a8ffb127efd0c95a4362d996b892c2904db72428d5b52e1938a4", size = 13464370, upload-time = "2024-08-27T21:00:03.328Z" } wheels = [ @@ -763,7 +763,7 @@ resolution-markers = [ "python_full_version == '3.10.*'", ] dependencies = [ - { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" } }, + { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.10.*'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/66/54/eb9bfc647b19f2009dd5c7f5ec51c4e6ca831725f1aea7a993034f483147/contourpy-1.3.2.tar.gz", hash = "sha256:b6945942715a034c671b7fc54f9588126b0b8bf23db2696e3ca8328f3ff0ab54", size = 13466130, upload-time = "2025-04-15T17:47:53.79Z" } wheels = [ @@ -844,7 +844,7 @@ resolution-markers = [ "python_full_version == '3.11.*' and sys_platform != 'emscripten' and sys_platform != 'win32'", ] dependencies = [ - { name = "numpy", version = "2.4.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.12'" }, + { name = "numpy", version = "2.4.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.11.*'" }, { name = "numpy", version = "2.5.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.12'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/58/01/1253e6698a07380cd31a736d248a3f2a50a7c88779a1813da27503cadc2a/contourpy-1.3.3.tar.gz", hash = "sha256:083e12155b210502d0bca491432bb04d56dc3432f95a979b429f2848c3dbe880", size = 13466174, upload-time = "2025-07-26T12:03:12.549Z" } @@ -931,9 +931,9 @@ resolution-markers = [ "python_full_version < '3.9'", ] dependencies = [ - { name = "cffi", version = "1.17.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version != '3.9' and platform_python_implementation != 'PyPy'" }, + { name = "cffi", version = "1.17.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9' and platform_python_implementation != 'PyPy'" }, { name = "cffi", version = "2.0.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9' and platform_python_implementation != 'PyPy'" }, - { name = "typing-extensions", version = "4.13.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version != '3.9'" }, + { name = "typing-extensions", version = "4.13.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, { name = "typing-extensions", version = "4.16.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version == '3.9'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/ef/b2/7ffa7fe8207a8c42147ffe70c3e360b228160c1d85dc3faff16aaa3244c0/cryptography-47.0.0.tar.gz", hash = "sha256:9f8e55fe4e63613a5e1cc5819030f27b97742d720203a087802ce4ce9ceb52bb", size = 830863, upload-time = "2026-04-24T19:54:57.056Z" } @@ -1010,9 +1010,9 @@ resolution-markers = [ "python_full_version > '3.9' and python_full_version < '3.9.2'", ] dependencies = [ - { name = "cffi", version = "2.0.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.10' and platform_python_implementation != 'PyPy'" }, + { name = "cffi", version = "2.0.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version > '3.9' and python_full_version < '3.10' and platform_python_implementation != 'PyPy'" }, { name = "cffi", version = "2.1.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.10' and platform_python_implementation != 'PyPy'" }, - { name = "typing-extensions", version = "4.16.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11'" }, + { name = "typing-extensions", version = "4.16.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version > '3.9' and python_full_version < '3.11'" }, ] sdist = { url = "https://files.pythonhosted.org/packages/1f/99/d1c90d6041656cc6ee229dc99cd67fd0cd5aec3c5f7d72fffc27cc750054/cryptography-49.0.0.tar.gz", hash = "sha256:f89660a348f4f78a92366240a61404e337586ef7f5909a2fef59ca88ef505493", size = 854345, upload-time = "2026-06-12T20:02:30.512Z" } wheels = [ @@ -1071,12 +1071,12 @@ resolution-markers = [ "python_full_version < '3.9'", ] dependencies = [ - { name = "clarabel", version = "0.9.0", source = { registry = "https://pypi.org/simple" } }, - { name = "ecos" }, - { name = "numpy", version = "1.24.4", source = { registry = "https://pypi.org/simple" } }, - { name = "osqp" }, - { name = "scipy", version = "1.10.1", source = { registry = "https://pypi.org/simple" } }, - { name = "scs", version = "3.2.7.post2", source = { registry = "https://pypi.org/simple" } }, + { name = "clarabel", version = "0.9.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, + { name = "ecos", marker = "python_full_version < '3.9'" }, + { name = "numpy", version = "1.24.4", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, + { name = "osqp", marker = "python_full_version < '3.9'" }, + { name = "scipy", version = "1.10.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, + { name = "scs", version = "3.2.7.post2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.9'" }, ] wheels = [ { url = "https://files.pythonhosted.org/packages/61/59/9b87879dd80d8f005300f8a67f205353fae2df752c4001d7ac52b5c38554/cvxpy-1.5.4-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:d093bdf9962e1367dfc249b95c53143474ff748cdabe8d66ede569964fde3e36", size = 1431597, upload-time = "2024-11-14T23:52:40.336Z" }, @@ -1112,13 +1112,13 @@ resolution-markers = [ "python_full_version == '3.9'", ] dependencies = [ - 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