get test/test.bash running again

- pin rdkit to just before they started generating thier own stubs
- pin pyright to just before it started failing (future prs might update pyright)
- swap out setup.py for a poetry-based build
- update mypy and fix the small issue it detected in rdGeometry

.gitignore

@@ -1,7 +1,5 @@
-Pipfile
-Pipfile.lock
 build
 rdkit_stubs.egg-info
 dist/
 __pycache__/
-
+/poetry.lock

pyproject.toml

@@ -0,0 +1,26 @@
+[tool.poetry]
+name = "rdkit-stubs"
+version = "0.7"
+description = "type stubs for rdkit"
+authors = [
+  "Andrew Dirksen <[email protected]>",
+  "Ryan Rightmer <[email protected]>",
+]
+license = "MIT OR Apache-2.0"
+readme = "README.md"
+homepage = "https://github.com/postera-ai/rdkit-stubs"
+keywords = ["stubs", "rdkit", "typing"]
+classifiers = [
+  "Development Status :: 1 - Planning",
+  "Typing :: Stubs Only",
+  "Programming Language :: Python :: 3.10",
+]
+packages = [{ include = "rdkit-stubs" }]
+include = ["rdkit-stubs/**/*.pyi"]
+
+[tool.poetry.dependencies]
+python = "^3.10"
+
+[build-system]
+requires = ["poetry-core"]
+build-backend = "poetry.core.masonry.api"

rdkit-stubs/Geometry/rdGeometry.pyi

@@ -122,8 +122,7 @@ class PointND:
     def __getinitargs__(cls, RDGeom) -> Any: ...
     @classmethod
     def __getitem__(cls, RDGeom, int) -> Any: ...
-    @classmethod
-    def __getstate__(cls, RDGeom) -> Any: ...
+    def __getstate__(self) -> Any: ...
     @classmethod
     def __iadd__(cls, boost, RDGeom) -> Any: ...
     @classmethod

test/pyproject.toml

@@ -6,9 +6,10 @@ authors = ["Your Name <[email protected]>"]
 
 [tool.poetry.dependencies]
 python = "^3.10"
-mypy = "^1.2.0"
+mypy = "^1.11.2"
 pyright = "^1.1.306"
-rdkit = "^2023.3.1"
+rdkit = "=2023.09.5"
+numpy = "1.26.4"
 pytest = "^7.3.1"
 rdkit-stubs = { path = "..", develop = true }
 

test/test.bash

@@ -8,6 +8,8 @@ cd "$parent"
 
 poetry install
 
+export PYRIGHT_PYTHON_FORCE_VERSION="1.1.338"
+
 # typecheck and run tests in this directory
 poetry run pyright .
 poetry run mypy .