instructions for publishing

docs/guides/publishing.md

@@ -0,0 +1,149 @@
+# Publishing torchlogix to PyPI
+
+This guide explains how to publish the torchlogix package to PyPI so it can be installed via `pip install torchlogix`.
+
+## Prerequisites
+
+1. **PyPI Account**: Create an account at [https://pypi.org](https://pypi.org)
+2. **TestPyPI Account** (optional but recommended): Create an account at [https://test.pypi.org](https://test.pypi.org)
+3. **API Token**: Generate an API token from your PyPI account settings
+
+## Step 1: Install Build Tools
+
+```bash
+pip install --upgrade pip build twine
+```
+
+## Step 2: Clean Previous Builds
+
+```bash
+rm -rf build dist *.egg-info src/*.egg-info
+```
+
+## Step 3: Build the Package
+
+```bash
+python -m build
+```
+
+This will create two files in the `dist/` directory:
+- `torchlogix-0.1.0.tar.gz` (source distribution)
+- `torchlogix-0.1.0-py3-none-any.whl` (wheel distribution)
+
+## Step 4: Validate the Build
+
+```bash
+python -m twine check dist/*
+```
+
+You should see:
+```
+Checking dist/torchlogix-0.1.0-py3-none-any.whl: PASSED
+Checking dist/torchlogix-0.1.0.tar.gz: PASSED
+```
+
+## Step 5: Test on TestPyPI (Recommended)
+
+Before publishing to the real PyPI, test on TestPyPI:
+
+```bash
+python -m twine upload --repository testpypi dist/*
+```
+
+You'll be prompted for your username (use `__token__`) and your TestPyPI API token.
+
+Then test installing from TestPyPI:
+```bash
+pip install --index-url https://test.pypi.org/simple/ --no-deps torchlogix
+```
+
+## Step 6: Publish to PyPI
+
+Once you've verified everything works on TestPyPI:
+
+```bash
+python -m twine upload dist/*
+```
+
+You'll be prompted for your username (use `__token__`) and your PyPI API token.
+
+## Step 7: Verify Installation
+
+After publishing, verify that the package can be installed:
+
+```bash
+pip install torchlogix
+```
+
+## Using API Tokens (Recommended)
+
+Instead of entering credentials each time, you can create a `.pypirc` file in your home directory:
+
+```ini
+[distutils]
+index-servers =
+    pypi
+    testpypi
+
+[pypi]
+username = __token__
+password = pypi-your-api-token-here
+
+[testpypi]
+repository = https://test.pypi.org/legacy/
+username = __token__
+password = pypi-your-test-api-token-here
+```
+
+**Important**: Never commit `.pypirc` to version control!
+
+## Updating the Package
+
+When you want to release a new version:
+
+1. Update the version number in:
+   - `setup.py` (line 13)
+   - `pyproject.toml` (line 7)
+
+2. Update `CHANGELOG.md` with the changes
+
+3. Commit the changes:
+   ```bash
+   git add setup.py pyproject.toml CHANGELOG.md
+   git commit -m "Bump version to X.Y.Z"
+   git tag vX.Y.Z
+   git push && git push --tags
+   ```
+
+4. Clean, rebuild, and republish:
+   ```bash
+   rm -rf build dist *.egg-info src/*.egg-info
+   python -m build
+   python -m twine check dist/*
+   python -m twine upload dist/*
+   ```
+
+## Versioning
+
+This package follows [Semantic Versioning](https://semver.org/):
+- MAJOR version (X.0.0): Incompatible API changes
+- MINOR version (0.X.0): Add functionality (backwards-compatible)
+- PATCH version (0.0.X): Bug fixes (backwards-compatible)
+
+## Troubleshooting
+
+### "File already exists" error
+
+If you get this error, it means you're trying to upload a version that already exists on PyPI. You must increment the version number.
+
+### Package not found after publishing
+
+It may take a few minutes for the package to be indexed and available. Try again after a few minutes.
+
+### Dependencies not installing
+
+Make sure all dependencies are listed in both `setup.py` and `pyproject.toml` with compatible version constraints.
+
+## GitHub Actions (Optional)
+
+You can automate the publishing process using GitHub Actions. See `.github/workflows/publish.yml` for an example workflow.

pyproject.toml

@@ -1,3 +1,72 @@
+[build-system]
+requires = ["setuptools>=45", "wheel", "setuptools_scm>=6.2"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "torchlogix"
+version = "0.1.0"
+description = "Differentiable Logic Gate Networks in PyTorch"
+readme = "README.md"
+requires-python = ">=3.6"
+license = {text = "MIT"}
+authors = [
+    {name = "Lino Gerlach", email = "lino.oscar.gerlach@cern.ch"}
+]
+maintainers = [
+    {name = "Lino Gerlach", email = "lino.oscar.gerlach@cern.ch"}
+]
+keywords = ["deep-learning", "pytorch", "logic-gates", "neural-networks", "machine-learning"]
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Developers",
+    "Intended Audience :: Science/Research",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.6",
+    "Programming Language :: Python :: 3.7",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Mathematics",
+    "Topic :: Scientific/Engineering :: Artificial Intelligence",
+]
+
+dependencies = [
+    "torch>=1.6.0",
+    "numpy>=1.19.0",
+    "tqdm>=4.50.0",
+    "scikit-learn>=0.24.0",
+    "torchvision>=0.8.0",
+    "rich>=10.0.0",
+]
+
+[project.optional-dependencies]
+dev = [
+    "flake8>=6.1.0",
+    "black>=23.12.1",
+    "isort>=5.13.2",
+    "pre-commit>=3.6.0",
+    "pytest>=8.0.0",
+    "autopep8>=2.0.4",
+    "sphinx>=4.0.0",
+    "sphinx-rtd-theme>=1.0.0",
+]
+
+[project.urls]
+Homepage = "https://github.com/ligerlac/torchlogix"
+Documentation = "https://ligerlac.github.io/torchlogix/"
+Repository = "https://github.com/ligerlac/torchlogix"
+"Bug Tracker" = "https://github.com/ligerlac/torchlogix/issues"
+
+[tool.setuptools]
+package-dir = {"" = "src"}
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
 [tool.black]
 line-length = 88
 target-version = ['py36']
@@ -16,3 +85,10 @@ force_grid_wrap = 0
 use_parentheses = true
 line_length = 88
 skip = ['.git', 'build', 'dist', '*.egg-info']
+
+[tool.pytest.ini_options]
+testpaths = ["tests"]
+python_files = ["test_*.py"]
+python_classes = ["Test*"]
+python_functions = ["test_*"]
+addopts = "-v --strict-markers"

setup.py

@@ -8,20 +8,31 @@
     long_description = fh.read()
 
 
-
-ext_modules = []
-
-
 setup(
     name="torchlogix",
     version="0.1.0",
     author="Lino Gerlach",
     author_email="lino.oscar.gerlach@cern.ch",
+    description="Differentiable Logic Gate Networks in PyTorch",
     long_description=long_description,
     long_description_content_type="text/markdown",
     url="https://github.com/ligerlac/torchlogix",
+    project_urls={
+        "Documentation": "https://ligerlac.github.io/torchlogix/",
+        "Source": "https://github.com/ligerlac/torchlogix",
+        "Bug Tracker": "https://github.com/ligerlac/torchlogix/issues",
+    },
     classifiers=[
+        "Development Status :: 4 - Beta",
+        "Intended Audience :: Developers",
+        "Intended Audience :: Science/Research",
         "Programming Language :: Python :: 3",
+        "Programming Language :: Python :: 3.6",
+        "Programming Language :: Python :: 3.7",
+        "Programming Language :: Python :: 3.8",
+        "Programming Language :: Python :: 3.9",
+        "Programming Language :: Python :: 3.10",
+        "Programming Language :: Python :: 3.11",
         "License :: OSI Approved :: MIT License",
         "Operating System :: OS Independent",
         "Topic :: Scientific/Engineering",
@@ -33,32 +44,30 @@
     ],
     package_dir={"": "src"},
     packages=find_packages(where="src"),
-    ext_modules=ext_modules,
-    cmdclass={"build_ext": BuildExtension}
-    if ext_modules
-    else {},  # Only if building extensions
     python_requires=">=3.6",
     install_requires=[
         "torch>=1.6.0",
-        "numpy>=1.26",
-        "tqdm",
-        "scikit-learn",
-        "torchvision",
-        "rich",
-        "torch-geometric",
-        "wheel",
+        "numpy>=1.19.0",
+        "tqdm>=4.50.0",
+        "scikit-learn>=0.24.0",
+        "torchvision>=0.8.0",
+        "rich>=10.0.0",
     ],
     extras_require={
         "dev": [
             "flake8>=6.1.0",
-            "black>=23.12.1", 
+            "black>=23.12.1",
             "isort>=5.13.2",
             "pre-commit>=3.6.0",
             "pytest>=8.0.0",
             "autopep8>=2.0.4",
+            "sphinx>=4.0.0",
+            "sphinx-rtd-theme>=1.0.0",
         ],
         "cuda": [
             # No additional dependencies needed, just triggers CUDA extension build
         ],
     },
+    keywords="deep-learning pytorch logic-gates neural-networks machine-learning",
+    include_package_data=True,
 )