Initial commit. Stage one work done.

2026-07-23 11:35:25 -05:00
parent a7be272917
commit dd3b0f9c45
37 changed files with 3429 additions and 171 deletions
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -0,0 +1,20 @@
+[project]
+name = "funxc"
+version = "0.1.0"
+description = "Differentiable exchange-correlation functionals in JAX: a clean-room libxc reimplementation"
+readme = "README.md"
+requires-python = ">=3.13"
+dependencies = ["jax>=0.5", "numpy>=2.0"]
+
+[dependency-groups]
+dev = ["pytest>=8"]
+
+[build-system]
+requires = ["hatchling"]
+build-backend = "hatchling.build"
+
+[tool.hatch.build.targets.wheel]
+packages = ["src/funxc"]
+
+[tool.pytest.ini_options]
+testpaths = ["tests"]