Adding PyPI package upload.

Author: stephanmg

.bumpversion.toml

@@ -0,0 +1,20 @@
+[tool.bumpversion]
+current_version = "0.1.0"
+parse = "(?P<major>\\d+)\\.(?P<minor>\\d+)\\.(?P<patch>\\d+)"
+serialize = ["{major}.{minor}.{patch}"]
+search = "{current_version}"
+replace = "{new_version}"
+regex = false
+ignore_missing_version = false
+ignore_missing_files = false
+tag = false
+sign_tags = false
+tag_name = "v{new_version}"
+tag_message = "Bump version: {current_version} → {new_version}"
+allow_dirty = false
+commit = false
+message = "Bump version: {current_version} → {new_version}"
+commit_args = ""
+setup_hooks = []
+pre_commit_hooks = []
+post_commit_hooks = []

.github/workflows/pypi.yaml

@@ -0,0 +1,28 @@
+name: Publish to PyPI
+
+jobs:
+  publish:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.x'  # Use latest Python 3
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install build twine
+
+      - name: Build package
+        run: python -m build  # Creates dist/* files
+
+      - name: Publish package to PyPI
+        env:
+          TWINE_USERNAME: __token__
+          TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }}
+        run: twine upload dist/*

pyproject.toml

@@ -1,2 +1,16 @@
 [tool.black]
 line-length = 80
+
+[build-system]
+requires = ["setuptools", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "calorimetry_tools"
+version = "0.1.0"
+description = "Calorimetry tools"
+authors = [ { name = "Stephan Grein", email = "stephan.grein@uni-bonn.de" }]
+license = { text = "MIT" }
+readme = "README.md"
+requires-python = ">3.10"
+dynamic = ["dependencies"]

setup.py

@@ -0,0 +1,18 @@
+from setuptools import setup
+
+
+def load_requirements(filename):
+    """Load dependencies from requirements.txt"""
+    with open(filename, "r", encoding="utf-8") as f:
+        return [
+            line.strip()
+            for line in f
+            if line.strip() and not line.startswith("#")
+        ]
+
+
+setup(
+    name="calorimetry_tools",
+    version="0.1.0",
+    install_requires=load_requirements("requirements.txt"),
+)