Switch to pyproject.toml (#174)

.circleci/config.yml

@@ -26,7 +26,7 @@ jobs:
       # Download and cache dependencies
       - restore_cache:
           keys:
-            - v2-dependencies-{{ checksum "setup.py" }}
+            - v2-dependencies-{{ checksum "pyproject.toml" }}
             # fallback to using the latest cache if no exact match is found
             - v2-dependencies-
 
@@ -45,7 +45,7 @@ jobs:
       - save_cache:
           paths:
             - ./venv
-          key: v2-dependencies-{{ checksum "setup.py" }}
+          key: v2-dependencies-{{ checksum "pyproject.toml" }}
 
       - restore_cache:
           keys:
@@ -99,7 +99,7 @@ jobs:
       # Download and cache dependencies
       - restore_cache:
           keys:
-            - v2-dependencies-{{ checksum "setup.py" }}
+            - v2-dependencies-{{ checksum "pyproject.toml" }}
             # fallback to using the latest cache if no exact match is found
             - v2-dependencies-
 
@@ -112,7 +112,7 @@ jobs:
       - save_cache:
           paths:
             - ./venv
-          key: v2-dependencies-{{ checksum "setup.py" }}
+          key: v2-dependencies-{{ checksum "pyproject.toml" }}
 
       - run:
           name: Run tests

pyproject.toml

@@ -0,0 +1,49 @@
+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "pyadjoint-ad"
+version = "2023.0.0"
+dependencies = [
+  "checkpoint_schedules",
+  "scipy>=1.0",
+]
+authors = [
+  {name = "Jørgen S. Dokken", email = "[email protected]"},
+]
+description = "High-level automatic differentiation library"
+readme = "README.md"
+license = {file = "LICENSE"}
+classifiers = [
+  "Programming Language :: Python",
+]
+
+[project.urls]
+Repository = "https://github.com/dolfin-adjoint/pyadjoint.git"
+
+[project.optional-dependencies]
+all = [
+  "coverage",
+  "flake8",
+  "meshio",
+  "moola>=0.1.6",
+  "networkx",
+  "protobuf",
+  "pygmsh",
+  "pygraphviz",
+  "pytest>=3.10",
+  "sphinx",
+  "sphinx-autobuild",
+  "sphinxcontrib-bibtex",
+  "tensorflow",
+]
+doc = ["sphinx", "sphinx-autobuild", "sphinxcontrib-bibtex"]
+meshing = ["pygmsh", "meshio"]
+moola = ["moola>=0.1.6"]
+test = ["pytest>=3.10", "flake8", "coverage"]
+visualisation = ["tensorflow", "protobuf", "networkx", "pygraphviz"]
+
+
+[tool.setuptools]
+packages = ["firedrake_adjoint", "numpy_adjoint", "pyadjoint"]

setup.cfg

@@ -1,15 +1,4 @@
-[metadata]
-name = dolfin-adjoint
-description=High-level automatic differentiation library,
-long_description = file: README.md
-long_description_content_type = text/markdown
-url = https://github.com/dolfin-adjoint/pyadjoint
-author= Jørgen S. Dokken,
-author_email= [email protected],
-license = LGPL-3.0
-license_files = LICENSE
-
 [flake8]
 exclude = .git,__pycache__,docs/,examples/,tests/,scripts/
 max-line-length = 119
-ignore=E731,W503,F405
+ignore=E731,W503,F405