Add PEP517/518 pyproject.toml support

docs/conf.py

@@ -8,7 +8,7 @@
 root_path = os.path.abspath(os.path.join(os.path.dirname(__file__), ".."))
 sys.path.insert(0, root_path)
 
-from pybop.version import __version__  # noqa: E402
+from pybop._version import __version__  # noqa: E402
 
 # -- Project information -----------------------------------------------------
 project = "PyBOP"

pybop/__init__.py

@@ -12,7 +12,7 @@
 #
 # Version info
 #
-from pybop.version import __version__
+from pybop._version import __version__
 
 #
 # Constants

pybop/_version.py

@@ -0,0 +1,3 @@
+import importlib.metadata
+
+__version__ = importlib.metadata.version("pybop")

pyproject.toml

@@ -0,0 +1,59 @@
+[build-system]
+requires = ["setuptools>=64"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "pybop"
+version = "23.12"
+authors = [
+  {name = "The PyBOP Team"},
+]
+maintainers = [
+  {name = "The PyBOP Team"},
+]
+description = "Python Battery Optimisation and Parameterisation"
+readme = "README.md"
+license = { file = "LICENSE" }
+# https://pypi.org/classifiers/
+classifiers = []
+requires-python = ">=3.8, <=3.12"
+dependencies = [
+  "pybamm>=23.5",
+  "numpy>=1.16",
+  "scipy>=1.3",
+  "pandas>=1.0",
+  "pints>=0.5",
+]
+
+[project.optional-dependencies]
+plot = ["plotly>=5.0"]
+docs = [
+    "sphinx>=6",
+    "pydata-sphinx-theme",
+    "sphinx-autobuild",
+    "sphinx-autoapi",
+    "sphinx_copybutton",
+    "sphinx_favicon",
+    "sphinx_design",
+    "myst-parser",
+]
+all = ["pybop[plot]"]
+
+[tool.setuptools.packages.find]
+include = ["pybop", "pybop.*"]
+
+[project.urls]
+Homepage = "https://github.com/pybop-team/PyBOP"
+
+[tool.pytest.ini_options]
+addopts = "--showlocals -v"
+
+[tool.ruff]
+extend-include = ["*.ipynb"]
+extend-exclude = ["__init__.py"]
+
+[tool.ruff.lint]
+ignore = ["E501","E741"]
+
+[tool.ruff.lint.per-file-ignores]
+"**.ipynb" = ["E402", "E703"]