diff --git a/poetry.lock b/poetry.lock index 6e8b49e..e08415c 100644 --- a/poetry.lock +++ b/poetry.lock @@ -8,33 +8,21 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" [[package]] name = "attrs" -version = "21.2.0" +version = "21.3.0" description = "Classes Without Boilerplate" category = "dev" optional = false python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" [package.extras] -dev = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface", "furo", "sphinx", "sphinx-notfound-page", "pre-commit"] +dev = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface", "furo", "sphinx", "sphinx-notfound-page", "pre-commit"] docs = ["furo", "sphinx", "zope.interface", "sphinx-notfound-page"] -tests = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface"] -tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins"] - -[[package]] -name = "backports.entry-points-selectable" -version = "1.1.0" -description = "Compatibility shim providing selectable entry points for older implementations" -category = "dev" -optional = false -python-versions = ">=2.7" - -[package.extras] -docs = ["sphinx", "jaraco.packaging (>=8.2)", "rst.linker (>=1.9)"] -testing = ["pytest (>=4.6)", "pytest-flake8", "pytest-cov", "pytest-black (>=0.3.7)", "pytest-mypy", "pytest-checkdocs (>=2.4)", "pytest-enabler (>=1.0.1)"] +tests = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface"] +tests_no_zope = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins"] [[package]] name = "black" -version = "21.9b0" +version = "21.12b0" description = "The uncompromising code formatter." category = "dev" optional = false @@ -45,7 +33,6 @@ click = ">=7.1.2" mypy-extensions = ">=0.4.3" pathspec = ">=0.9.0,<1" platformdirs = ">=2" -regex = ">=2020.1.8" tomli = ">=0.2.6,<2.0.0" typing-extensions = [ {version = ">=3.10.0.0", markers = "python_version < \"3.10\""}, @@ -54,9 +41,9 @@ typing-extensions = [ [package.extras] colorama = ["colorama (>=0.4.3)"] -d = ["aiohttp (>=3.6.0)", "aiohttp-cors (>=0.4.0)"] +d = ["aiohttp (>=3.7.4)"] jupyter = ["ipython (>=7.8.0)", "tokenize-rt (>=3.2.0)"] -python2 = ["typed-ast (>=1.4.2)"] +python2 = ["typed-ast (>=1.4.3)"] uvloop = ["uvloop (>=0.15.2)"] [[package]] @@ -82,7 +69,7 @@ unidecode = ">=1.0.23,<2.0.0" [[package]] name = "click" -version = "8.0.1" +version = "8.0.3" description = "Composable command line interface toolkit" category = "dev" optional = false @@ -131,7 +118,7 @@ toml = ["toml"] [[package]] name = "darglint" -version = "1.8.0" +version = "1.8.1" description = "A utility for ensuring Google-style docstrings stay up to date with the source code." category = "dev" optional = false @@ -139,7 +126,7 @@ python-versions = ">=3.6,<4.0" [[package]] name = "distlib" -version = "0.3.2" +version = "0.3.4" description = "Distribution utilities" category = "dev" optional = false @@ -155,11 +142,15 @@ python-versions = "*" [[package]] name = "filelock" -version = "3.0.12" +version = "3.4.2" description = "A platform independent file lock." category = "dev" optional = false -python-versions = "*" +python-versions = ">=3.7" + +[package.extras] +docs = ["furo (>=2021.8.17b43)", "sphinx (>=4.1)", "sphinx-autodoc-typehints (>=1.12)"] +testing = ["covdefaults (>=1.2.0)", "coverage (>=4)", "pytest (>=4)", "pytest-cov", "pytest-timeout (>=1.4.2)"] [[package]] name = "flake8" @@ -188,30 +179,30 @@ pydocstyle = ">=2.1" [[package]] name = "flake8-isort" -version = "4.0.0" +version = "4.1.1" description = "flake8 plugin that integrates isort ." category = "dev" optional = false python-versions = "*" [package.dependencies] -flake8 = ">=3.2.1,<4" +flake8 = ">=3.2.1,<5" isort = ">=4.3.5,<6" testfixtures = ">=6.8.0,<7" [package.extras] -test = ["pytest (>=4.0.2,<6)", "toml"] +test = ["pytest-cov"] [[package]] name = "identify" -version = "2.2.14" +version = "2.4.1" description = "File identification library for Python" category = "dev" optional = false python-versions = ">=3.6.1" [package.extras] -license = ["editdistance-s"] +license = ["ukkonen"] [[package]] name = "incremental" @@ -226,7 +217,7 @@ scripts = ["click (>=6.0)", "twisted (>=16.4.0)"] [[package]] name = "isort" -version = "5.9.3" +version = "5.10.1" description = "A Python utility / library to sort Python imports." category = "main" optional = false @@ -240,7 +231,7 @@ plugins = ["setuptools"] [[package]] name = "jinja2" -version = "3.0.1" +version = "3.0.3" description = "A very fast and expressive template engine." category = "dev" optional = false @@ -270,7 +261,7 @@ python-versions = "*" [[package]] name = "more-itertools" -version = "8.9.0" +version = "8.12.0" description = "More routines for operating on iterables, beyond itertools" category = "dev" optional = false @@ -319,14 +310,14 @@ python-versions = ">=3.7" [[package]] name = "packaging" -version = "21.0" +version = "21.3" description = "Core utilities for Python packages" category = "dev" optional = false python-versions = ">=3.6" [package.dependencies] -pyparsing = ">=2.0.2" +pyparsing = ">=2.0.2,<3.0.5 || >3.0.5" [[package]] name = "pathspec" @@ -338,11 +329,11 @@ python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7" [[package]] name = "platformdirs" -version = "2.3.0" +version = "2.4.1" description = "A small Python module for determining appropriate platform-specific dirs, e.g. a \"user data dir\"." category = "dev" optional = false -python-versions = ">=3.6" +python-versions = ">=3.7" [package.extras] docs = ["Sphinx (>=4)", "furo (>=2021.7.5b38)", "proselint (>=0.10.2)", "sphinx-autodoc-typehints (>=1.12)"] @@ -361,7 +352,7 @@ dev = ["pre-commit", "tox"] [[package]] name = "poetry-core" -version = "1.0.4" +version = "1.0.7" description = "Poetry PEP 517 Build Backend" category = "dev" optional = false @@ -369,7 +360,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" [[package]] name = "pre-commit" -version = "2.15.0" +version = "2.16.0" description = "A framework for managing and maintaining multi-language pre-commit hooks." category = "dev" optional = false @@ -385,11 +376,11 @@ virtualenv = ">=20.0.8" [[package]] name = "py" -version = "1.10.0" +version = "1.11.0" description = "library with cross-python path, ini-parsing, io, code, log facilities" category = "dev" optional = false -python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" +python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" [[package]] name = "pycodestyle" @@ -423,11 +414,14 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" [[package]] name = "pyparsing" -version = "2.4.7" +version = "3.0.6" description = "Python parsing module" category = "dev" optional = false -python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*" +python-versions = ">=3.6" + +[package.extras] +diagrams = ["jinja2", "railroad-diagrams"] [[package]] name = "pytest" @@ -483,15 +477,15 @@ dev = ["pre-commit", "tox", "pytest-asyncio"] [[package]] name = "pyyaml" -version = "5.4.1" +version = "6.0" description = "YAML parser and emitter for Python" category = "dev" optional = false -python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*" +python-versions = ">=3.6" [[package]] name = "rdkit-pypi" -version = "2021.3.5.1" +version = "2021.9.3" description = "A collection of chemoinformatics and machine-learning software written in C++ and Python" category = "dev" optional = false @@ -500,14 +494,6 @@ python-versions = "*" [package.dependencies] numpy = ">=1.19" -[[package]] -name = "regex" -version = "2021.8.28" 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Environment builder" category = "dev" optional = false python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7" [package.dependencies] -"backports.entry-points-selectable" = ">=1.0.4" distlib = ">=0.3.1,<1" -filelock = ">=3.0.0,<4" +filelock = ">=3.2,<4" platformdirs = ">=2,<3" six = ">=1.9.0,<2" [package.extras] -docs = ["proselint (>=0.10.2)", "sphinx (>=3)", "sphinx-argparse (>=0.2.5)", "sphinx-rtd-theme (>=0.4.3)", "towncrier (>=19.9.0rc1)"] +docs = ["proselint (>=0.10.2)", "sphinx (>=3)", "sphinx-argparse (>=0.2.5)", "sphinx-rtd-theme (>=0.4.3)", "towncrier (>=21.3)"] testing = ["coverage (>=4)", "coverage-enable-subprocess (>=1)", "flaky (>=3)", "pytest (>=4)", "pytest-env (>=0.6.2)", "pytest-freezegun (>=0.4.1)", "pytest-mock (>=2)", "pytest-randomly (>=1)", "pytest-timeout (>=1)", "packaging (>=20.0)"] [[package]] @@ -697,7 +682,7 @@ python-versions = "*" [[package]] name = "xdoctest" -version = "0.15.8" +version = "0.15.10" description = "A rewrite of the builtin 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extras = test +setenv = + SETUPTOOLS_USE_DISTUTILS = stdlib commands = poetry install -v poetry run pytest