Restructure package build (#94)

* Test up to Python 3.12

* move packaging content to pyproject.toml

* get version with importlib.metadata

* add tool configs for black, isotr, mypy

* update build command

* add build to req-dev

* add robotools key to package-dir

* run pre-commit

---------

Co-authored-by: Michael Osthege <[email protected]>

Author: tobiaslatour

.github/workflows/pipeline.yml

@@ -10,7 +10,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ["3.9", "3.10", "3.11"]
+        python-version: ["3.10", "3.11", "3.12"]
     steps:
     - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
@@ -36,7 +36,7 @@ jobs:
         file: ./coverage.xml
     - name: Test Wheel install and import
       run: |
-        python setup.py bdist_wheel
+        python -m build
         cd dist
         pip install robotools*.whl
         python -c "import robotools; print(robotools.__version__)"

.github/workflows/release.yml

@@ -26,7 +26,7 @@ jobs:
         pytest --cov=./robotools --cov-report xml --cov-report term-missing robotools
     - name: Build package
       run: |
-        python setup.py sdist bdist_wheel
+        python -m build
     - name: Check version number match
       run: |
         echo "GITHUB_REF: ${GITHUB_REF}"

pyproject.toml

@@ -1,3 +1,42 @@
+[build-system]
+requires = ["setuptools>=61.0"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "robotools"
+version = "1.11.3"
+description = "Pythonic in-silico liquid handling and creation of Tecan FreedomEVO worklists."
+readme = "README.md"
+requires-python = ">=3.10"
+license = {text = "GNU Affero General Public License v3"}
+authors = [
+    {name = "Michael Osthege", email = "[email protected]"},
+]
+classifiers = [
+    "Programming Language :: Python",
+    "Operating System :: OS Independent",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "License :: OSI Approved :: GNU Affero General Public License v3",
+    "Intended Audience :: Science/Research",
+    "Topic :: Scientific/Engineering",
+]
+dependencies = [
+    "numpy",
+    "pandas",
+]
+
+[project.urls]
+Homepage = "https://github.com/jubiotech/robotools"
+Documentation = "https://robotools.readthedocs.io/en/latest/"
+Download = "https://pypi.org/project/robotools/"
+
+[tool.setuptools]
+package-dir = {"robotools" = "robotools"}
+
 [tool.black]
 line-length = 110
 

requirements-dev.txt

@@ -4,3 +4,4 @@ pytest
 pytest-cov
 twine
 wheel
+build

robotools/__init__.py

@@ -1,3 +1,5 @@
+import importlib.metadata
+
 from . import evotools, liquidhandling
 from .evotools import EvoWorklist, InvalidOperationError, Labwares, Tip, Worklist
 from .evotools import commands as evo_cmd
@@ -20,7 +22,7 @@
 from .utils import DilutionPlan, get_trough_wells
 from .worklists import BaseWorklist, CompatibilityError
 
-__version__ = "1.11.2"
+__version__ = importlib.metadata.version(__package__ or __name__)
 __all__ = (
     "BaseWorklist",
     "CompatibilityError",