diff --git a/justfile b/justfile index 82a3b2e..df19356 100644 --- a/justfile +++ b/justfile @@ -4,11 +4,8 @@ publish: git diff-index --quiet HEAD # assert we are on main git branch --show-current | grep '^main$' - # remove any previous builds rm -rf dist rdkit-stubs.egg-info - # build pyproject-build # pipx install build - # upload twine upload dist/* # pipx install twine test: diff --git a/pyproject.toml b/pyproject.toml index 26eb523..9503d2f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,27 +1,26 @@ -[tool.poetry] +[project] name = "rdkit-stubs" version = "0.8" -description = "type stubs for rdkit" +requires-python = ">=3.10" authors = [ - "Andrew Dirksen ", - "Ryan Rightmer ", - "K. Yanagisawa (https://github.com/keisuke-yanagisawa)", + { name = "Andrew Dirksen", email = "andrew@dirksen.com" }, + { name = "Ryan Rightmer", email = "rrightmer@gmail.com" }, + { name = "K. Yanagisawa" }, ] -license = "MIT OR Apache-2.0" +description = "type stubs for rdkit" readme = "README.md" -homepage = "https://github.com/postera-ai/rdkit-stubs" +license = { text = "MIT OR Apache-2.0" } 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"] +urls.Homepage = "https://github.com/postera-ai/rdkit-stubs" -[tool.poetry.dependencies] -python = "^3.10" +[tool.setuptools.package-data] +"*" = ["*.pyi"] [build-system] -requires = ["poetry-core"] -build-backend = "poetry.core.masonry.api" +requires = ["setuptools", "wheel"] +build-backend = "setuptools.build_meta" diff --git a/rdkit-stubs/Avalon/__init__.pyi b/src/rdkit-stubs/Avalon/__init__.pyi similarity index 100% rename from rdkit-stubs/Avalon/__init__.pyi rename to src/rdkit-stubs/Avalon/__init__.pyi diff --git a/rdkit-stubs/Avalon/pyAvalonTools.pyi b/src/rdkit-stubs/Avalon/pyAvalonTools.pyi similarity index 100% rename from rdkit-stubs/Avalon/pyAvalonTools.pyi rename to src/rdkit-stubs/Avalon/pyAvalonTools.pyi diff --git a/rdkit-stubs/Chem/AllChem.pyi b/src/rdkit-stubs/Chem/AllChem.pyi similarity index 100% rename from rdkit-stubs/Chem/AllChem.pyi rename to src/rdkit-stubs/Chem/AllChem.pyi diff --git a/rdkit-stubs/Chem/AtomPairs/Pairs.pyi b/src/rdkit-stubs/Chem/AtomPairs/Pairs.pyi similarity index 100% rename from rdkit-stubs/Chem/AtomPairs/Pairs.pyi rename to src/rdkit-stubs/Chem/AtomPairs/Pairs.pyi diff --git a/rdkit-stubs/Chem/AtomPairs/Sheridan.pyi b/src/rdkit-stubs/Chem/AtomPairs/Sheridan.pyi similarity index 100% rename from rdkit-stubs/Chem/AtomPairs/Sheridan.pyi rename to src/rdkit-stubs/Chem/AtomPairs/Sheridan.pyi diff --git a/rdkit-stubs/Chem/AtomPairs/Torsions.pyi b/src/rdkit-stubs/Chem/AtomPairs/Torsions.pyi similarity index 100% rename from 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similarity index 100% rename from rdkit-stubs/utils/__init__.pyi rename to src/rdkit-stubs/utils/__init__.pyi diff --git a/rdkit-stubs/utils/cactvs.pyi b/src/rdkit-stubs/utils/cactvs.pyi similarity index 100% rename from rdkit-stubs/utils/cactvs.pyi rename to src/rdkit-stubs/utils/cactvs.pyi diff --git a/rdkit-stubs/utils/chemdraw.pyi b/src/rdkit-stubs/utils/chemdraw.pyi similarity index 100% rename from rdkit-stubs/utils/chemdraw.pyi rename to src/rdkit-stubs/utils/chemdraw.pyi diff --git a/rdkit-stubs/utils/chemdraw_qax.pyi b/src/rdkit-stubs/utils/chemdraw_qax.pyi similarity index 100% rename from rdkit-stubs/utils/chemdraw_qax.pyi rename to src/rdkit-stubs/utils/chemdraw_qax.pyi diff --git a/rdkit-stubs/utils/chemutils.pyi b/src/rdkit-stubs/utils/chemutils.pyi similarity index 100% rename from rdkit-stubs/utils/chemutils.pyi rename to src/rdkit-stubs/utils/chemutils.pyi diff --git a/rdkit-stubs/utils/comhack.pyi b/src/rdkit-stubs/utils/comhack.pyi similarity index 100% rename from rdkit-stubs/utils/comhack.pyi rename to src/rdkit-stubs/utils/comhack.pyi diff --git a/rdkit-stubs/utils/fileutils.pyi b/src/rdkit-stubs/utils/fileutils.pyi similarity index 100% rename from rdkit-stubs/utils/fileutils.pyi rename to src/rdkit-stubs/utils/fileutils.pyi diff --git a/rdkit-stubs/utils/listutils.pyi b/src/rdkit-stubs/utils/listutils.pyi similarity index 100% rename from rdkit-stubs/utils/listutils.pyi rename to src/rdkit-stubs/utils/listutils.pyi diff --git a/rdkit-stubs/utils/spiral.pyi b/src/rdkit-stubs/utils/spiral.pyi similarity index 100% rename from rdkit-stubs/utils/spiral.pyi rename to src/rdkit-stubs/utils/spiral.pyi diff --git a/test/poetry.lock b/test/poetry.lock index ac9a52a..e87768d 100644 --- a/test/poetry.lock +++ b/test/poetry.lock @@ -275,13 +275,13 @@ testing = ["pytest", "pytest-benchmark"] [[package]] name = "pyright" -version = "1.1.380" +version = "1.1.381" description = "Command line wrapper for pyright" optional = false python-versions = ">=3.7" files = [ - {file = "pyright-1.1.380-py3-none-any.whl", hash = "sha256:a6404392053d8848bacc7aebcbd9d318bb46baf1a1a000359305481920f43879"}, - {file = "pyright-1.1.380.tar.gz", hash = "sha256:e6ceb1a5f7e9f03106e0aa1d6fbb4d97735a5e7ffb59f3de6b2db590baf935b2"}, + {file = "pyright-1.1.381-py3-none-any.whl", hash = "sha256:5dc0aa80a265675d36abab59c674ae01dbe476714f91845b61b841d34aa99081"}, + {file = "pyright-1.1.381.tar.gz", hash = "sha256:314cf0c1351c189524fb10c7ac20688ecd470e8cc505c394d642c9c80bf7c3a5"}, ] [package.dependencies] @@ -353,10 +353,10 @@ Pillow = "*" [[package]] name = "rdkit-stubs" -version = "0.7" +version = "0.8" description = "type stubs for rdkit" optional = false -python-versions = "^3.10" +python-versions = ">=3.10" files = [] develop = true diff --git a/test/test.bash b/test/test.bash index 5658c1e..b0732aa 100755 --- a/test/test.bash +++ b/test/test.bash @@ -16,6 +16,6 @@ poetry run mypy . poetry run pytest . # typecheck the stubs themselves -cd ../rdkit-stubs +cd "$parent"/.. poetry run --directory "$parent" pyright . poetry run --directory "$parent" mypy .