Project initialization

.github/workflows/ci.yml

@@ -0,0 +1,25 @@
+name: CI
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+
+jobs:
+  checks:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+
+      - name: Set up uv
+        uses: astral-sh/setup-uv@v6
+        with:
+          python-version: "3.11"
+
+      - name: Sync dependencies
+        run: uv sync --group dev
+
+      - name: Tox
+        run: uv run tox

.gitignore

@@ -98,7 +98,7 @@ ipython_config.py
 #   Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
 #   This is especially recommended for binary packages to ensure reproducibility, and is more
 #   commonly ignored for libraries.
-#uv.lock
+uv.lock
 
 # poetry
 #   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
@@ -182,9 +182,9 @@ cython_debug/
 .abstra/
 
 # Visual Studio Code
-#  Visual Studio Code specific template is maintained in a separate VisualStudioCode.gitignore 
+#  Visual Studio Code specific template is maintained in a separate VisualStudioCode.gitignore
 #  that can be found at https://github.com/github/gitignore/blob/main/Global/VisualStudioCode.gitignore
-#  and can be added to the global gitignore or merged into this file. However, if you prefer, 
+#  and can be added to the global gitignore or merged into this file. However, if you prefer,
 #  you could uncomment the following to ignore the entire vscode folder
 # .vscode/
 
@@ -201,6 +201,14 @@ cython_debug/
 .cursorignore
 .cursorindexingignore
 
+# macOS
+.DS_Store
+
+# PyTorch artifacts
+*.pt
+*.pth
+*.safetensors
+
 # Marimo
 marimo/_static/
 marimo/_lsp/

.pre-commit-config.yaml

@@ -0,0 +1,24 @@
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v5.0.0
+    hooks:
+      - id: end-of-file-fixer
+      - id: trailing-whitespace
+      - id: check-yaml
+  - repo: local
+    hooks:
+      - id: ruff-check
+        name: ruff check
+        entry: uv run ruff check src tests
+        language: system
+        pass_filenames: false
+      - id: ruff-format-check
+        name: ruff format --check
+        entry: uv run ruff format --check src tests
+        language: system
+        pass_filenames: false
+      - id: mypy
+        name: mypy
+        entry: uv run mypy --no-incremental src tests
+        language: system
+        pass_filenames: false

README.md

@@ -1,2 +1,94 @@
 # qRG
 A torch based toolkit for renormalization group computations.
+
+## Developer Setup
+
+This repository uses `uv` for environment management, `tox` for checks, and `pre-commit` for local hooks.
+
+### Requirements
+
+- Python 3.11
+- `uv`
+
+Install `uv` if needed:
+
+```bash
+curl -LsSf https://astral.sh/uv/install.sh | sh
+```
+
+### Quick Start
+
+Clone the repo and choose one PyTorch backend extra:
+
+- `cpu`
+- `cu126`
+- `cu128`
+- `cu129`
+- `cu130`
+
+Standard development setup with CPU PyTorch:
+
+```bash
+git clone <your-repo-url>
+cd qRG
+uv sync --group dev --extra cpu
+uv run pre-commit install
+```
+
+If you want a CUDA backend instead, replace `cpu` with one of the CUDA extras, for example:
+
+```bash
+uv sync --group dev --extra cu128
+```
+
+Only one backend extra can be installed at a time.
+
+### Common Commands
+
+Run all checks:
+
+```bash
+uv run tox
+```
+
+Run pre-commit on all files:
+
+```bash
+uv run pre-commit run --all-files
+```
+
+Build the package:
+
+```bash
+uv run python -m build
+```
+
+### Minimal Install
+
+If you only want the base package without dev tools or PyTorch extras:
+
+```bash
+uv sync
+```
+
+This installs the package and its base dependency `qten`, but not `dev` or any torch backend.
+
+### Reinstall
+
+Clean reinstall:
+
+```bash
+rm -rf .venv uv.lock
+uv sync --group dev --extra cpu
+```
+
+Force reinstall in the existing environment:
+
+```bash
+uv sync --reinstall --group dev --extra cpu
+```
+
+### Notes
+
+- `uv.lock` is ignored in this repository.
+- Common Torch checkpoint files are ignored in git.

pyproject.toml

@@ -0,0 +1,137 @@
+[build-system]
+requires = ["setuptools>=69", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "qRG"
+version = "0.1.0"
+description = "A torch based package for renormalization group computation."
+readme = "README.md"
+requires-python = ">=3.11"
+license = { file = "LICENSE" }
+authors = [
+  { name = "alphaharrius" },
+  { name = "eyjafjallac" },
+]
+dependencies = [
+  "qten",
+]
+[project.optional-dependencies]
+cpu = [
+  "torch>=2.7.0",
+  "torchvision>=0.22.0",
+]
+cu126 = [
+  "torch>=2.7.0",
+  "torchvision>=0.22.0",
+]
+cu128 = [
+  "torch>=2.7.0",
+  "torchvision>=0.22.0",
+]
+cu129 = [
+  "torch>=2.7.0",
+  "torchvision>=0.22.0",
+]
+cu130 = [
+  "torch>=2.7.0",
+  "torchvision>=0.22.0",
+]
+
+[tool.setuptools]
+package-dir = { "" = "src" }
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
+[tool.uv]
+package = true
+conflicts = [
+  [{ extra = "cpu" }, { extra = "cu126" }, { extra = "cu128" }, { extra = "cu129" }, { extra = "cu130" }],
+]
+
+[tool.uv.sources]
+torch = [
+  { index = "pytorch-cu126", extra = "cu126" },
+  { index = "pytorch-cu128", extra = "cu128" },
+  { index = "pytorch-cu129", extra = "cu129" },
+  { index = "pytorch-cu130", extra = "cu130" },
+  { index = "pytorch-cpu", extra = "cpu", marker = "sys_platform == 'linux'" },
+  { index = "pypi", extra = "cpu", marker = "sys_platform != 'linux'" },
+]
+torchvision = [
+  { index = "pytorch-cu126", extra = "cu126" },
+  { index = "pytorch-cu128", extra = "cu128" },
+  { index = "pytorch-cu129", extra = "cu129" },
+  { index = "pytorch-cpu", extra = "cpu", marker = "sys_platform == 'linux'" },
+  { index = "pypi", extra = "cpu", marker = "sys_platform != 'linux'" },
+]
+
+[[tool.uv.index]]
+name = "pytorch-cu126"
+url = "https://download.pytorch.org/whl/cu126"
+explicit = true
+
+[[tool.uv.index]]
+name = "pytorch-cu128"
+url = "https://download.pytorch.org/whl/cu128"
+explicit = true
+
+[[tool.uv.index]]
+name = "pytorch-cu129"
+url = "https://download.pytorch.org/whl/cu129"
+explicit = true
+
+[[tool.uv.index]]
+name = "pytorch-cu130"
+url = "https://download.pytorch.org/whl/cu130"
+explicit = true
+
+[[tool.uv.index]]
+name = "pytorch-cpu"
+url = "https://download.pytorch.org/whl/cpu"
+explicit = true
+
+[[tool.uv.index]]
+name = "pypi"
+url = "https://pypi.org/simple"
+
+[dependency-groups]
+dev = [
+  "build>=1.2.2",
+  "mypy>=1.10",
+  "pre-commit>=3.7",
+  "pytest>=8.2",
+  "pytest-cov>=4.0.0",
+  "ruff>=0.5",
+  "tox>=4.0.0",
+  "tox-uv>=1.0.0",
+  "twine>=5.1.1",
+]
+nb = [
+  "ipykernel>=6.29.0",
+  "jupyterlab>=4.2.0",
+  "notebook>=7.2.0",
+  "qten-plots>=0.1.0",
+]
+
+[tool.pytest.ini_options]
+testpaths = ["tests"]
+
+[tool.ruff]
+target-version = "py311"
+line-length = 100
+
+[tool.ruff.lint]
+select = ["E", "F", "I", "UP", "B"]
+
+[tool.ruff.format]
+quote-style = "double"
+indent-style = "space"
+
+[tool.mypy]
+python_version = "3.11"
+files = ["src", "tests"]
+strict = true
+warn_unused_ignores = true
+disallow_any_generics = true

src/qrg/__init__.py

@@ -0,0 +1,5 @@
+"""qRG package."""
+
+__all__ = ["__version__"]
+
+__version__ = "0.1.0"

tests/test_smoke.py

@@ -0,0 +1,5 @@
+import qrg
+
+
+def test_package_imports() -> None:
+    assert qrg.__version__

tox.ini

@@ -0,0 +1,35 @@
+[tox]
+requires =
+  tox>=4.0.0
+  tox-uv>=1.0.0
+env_list =
+  py311
+  lint
+  type
+
+[testenv]
+description = Run the test suite with coverage.
+package = wheel
+extras =
+  cpu
+dependency_groups =
+  dev
+commands =
+  pytest --cov=qrg --cov-report=term-missing tests
+
+[testenv:lint]
+description = Run Ruff checks.
+package = skip
+dependency_groups =
+  dev
+commands =
+  ruff check src tests
+  ruff format --check src tests
+
+[testenv:type]
+description = Run mypy checks.
+package = skip
+dependency_groups =
+  dev
+commands =
+  mypy --no-incremental src tests