From 5d85bba0ef56839794c2944908a9b91f6967cc09 Mon Sep 17 00:00:00 2001
From: Eike Caldeweyher <hello@eikecaldeweyher.de>
Date: Mon, 13 Feb 2023 11:19:32 +0100
Subject: [PATCH 1/2] Update click and kallisto dependencies.

---
 poetry.lock    | 1414 ++++++++++++++++++++++++++----------------------
 pyproject.toml |    4 +-
 2 files changed, 774 insertions(+), 644 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index 5211d41..b4424d3 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -2,26 +2,26 @@
 
 [[package]]
 name = "alabaster"
-version = "0.7.12"
+version = "0.7.13"
 description = "A configurable sidebar-enabled Sphinx theme"
 category = "dev"
 optional = false
-python-versions = "*"
+python-versions = ">=3.6"
 files = [
-    {file = "alabaster-0.7.12-py2.py3-none-any.whl", hash = "sha256:446438bdcca0e05bd45ea2de1668c1d9b032e1a9154c2c259092d77031ddd359"},
-    {file = "alabaster-0.7.12.tar.gz", hash = "sha256:a661d72d58e6ea8a57f7a86e37d86716863ee5e92788398526d58b26a4e4dc02"},
+    {file = "alabaster-0.7.13-py3-none-any.whl", hash = "sha256:1ee19aca801bbabb5ba3f5f258e4422dfa86f82f3e9cefb0859b283cdd7f62a3"},
+    {file = "alabaster-0.7.13.tar.gz", hash = "sha256:a27a4a084d5e690e16e01e03ad2b2e552c61a65469419b907243193de1a84ae2"},
 ]
 
 [[package]]
 name = "alembic"
-version = "1.8.0"
+version = "1.9.3"
 description = "A database migration tool for SQLAlchemy."
 category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
-    {file = "alembic-1.8.0-py3-none-any.whl", hash = "sha256:b5ae4bbfc7d1302ed413989d39474d102e7cfa158f6d5969d2497955ffe85a30"},
-    {file = "alembic-1.8.0.tar.gz", hash = "sha256:a2d4d90da70b30e70352cd9455e35873a255a31402a438fe24815758d7a0e5e1"},
+    {file = "alembic-1.9.3-py3-none-any.whl", hash = "sha256:ed2f73ea9c986f43af8ad7502c5f60d6bb1400bcd6d29f230e760e08884cb476"},
+    {file = "alembic-1.9.3.tar.gz", hash = "sha256:8fd6aaea56f5a703a190d25a705dfa91d7c313bb71de2f9c68f5abdcaf5df164"},
 ]
 
 [package.dependencies]
@@ -33,46 +33,35 @@ SQLAlchemy = ">=1.3.0"
 [package.extras]
 tz = ["python-dateutil"]
 
-[[package]]
-name = "aspy.refactor-imports"
-version = "3.0.1"
-description = "Utilities for refactoring imports in python-like syntax."
-category = "dev"
-optional = false
-python-versions = ">=3.7"
-files = [
-    {file = "aspy.refactor_imports-3.0.1-py2.py3-none-any.whl", hash = "sha256:bc257946fdf5abd9c60393cfb8d0b5d45a2b87d1ee0ede46584c8be5567bc669"},
-    {file = "aspy.refactor_imports-3.0.1.tar.gz", hash = "sha256:df497c3726ee2931b03d403e58a4590f7f4e60059b115cf5df0e07e70c7c73be"},
-]
-
 [[package]]
 name = "attrs"
-version = "21.4.0"
+version = "22.2.0"
 description = "Classes Without Boilerplate"
 category = "dev"
 optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+python-versions = ">=3.6"
 files = [
-    {file = "attrs-21.4.0-py2.py3-none-any.whl", hash = "sha256:2d27e3784d7a565d36ab851fe94887c5eccd6a463168875832a1be79c82828b4"},
-    {file = "attrs-21.4.0.tar.gz", hash = "sha256:626ba8234211db98e869df76230a137c4c40a12d72445c45d5f5b716f076e2fd"},
+    {file = "attrs-22.2.0-py3-none-any.whl", hash = "sha256:29e95c7f6778868dbd49170f98f8818f78f3dc5e0e37c0b1f474e3561b240836"},
+    {file = "attrs-22.2.0.tar.gz", hash = "sha256:c9227bfc2f01993c03f68db37d1d15c9690188323c067c641f1a35ca58185f99"},
 ]
 
 [package.extras]
-dev = ["cloudpickle", "coverage[toml] (>=5.0.2)", "furo", "hypothesis", "mypy", "pre-commit", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "six", "sphinx", "sphinx-notfound-page", "zope.interface"]
-docs = ["furo", "sphinx", "sphinx-notfound-page", "zope.interface"]
-tests = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "mypy", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "six", "zope.interface"]
-tests-no-zope = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "mypy", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "six"]
+cov = ["attrs[tests]", "coverage-enable-subprocess", "coverage[toml] (>=5.3)"]
+dev = ["attrs[docs,tests]"]
+docs = ["furo", "myst-parser", "sphinx", "sphinx-notfound-page", "sphinxcontrib-towncrier", "towncrier", "zope.interface"]
+tests = ["attrs[tests-no-zope]", "zope.interface"]
+tests-no-zope = ["cloudpickle", "cloudpickle", "hypothesis", "hypothesis", "mypy (>=0.971,<0.990)", "mypy (>=0.971,<0.990)", "pympler", "pympler", "pytest (>=4.3.0)", "pytest (>=4.3.0)", "pytest-mypy-plugins", "pytest-mypy-plugins", "pytest-xdist[psutil]", "pytest-xdist[psutil]"]
 
 [[package]]
 name = "babel"
-version = "2.10.1"
+version = "2.11.0"
 description = "Internationalization utilities"
 category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
-    {file = "Babel-2.10.1-py3-none-any.whl", hash = "sha256:3f349e85ad3154559ac4930c3918247d319f21910d5ce4b25d439ed8693b98d2"},
-    {file = "Babel-2.10.1.tar.gz", hash = "sha256:98aeaca086133efb3e1e2aad0396987490c8425929ddbcfe0550184fdc54cd13"},
+    {file = "Babel-2.11.0-py3-none-any.whl", hash = "sha256:1ad3eca1c885218f6dce2ab67291178944f810a10a9b5f3cb8382a5a232b64fe"},
+    {file = "Babel-2.11.0.tar.gz", hash = "sha256:5ef4b3226b0180dedded4229651c8b0e1a3a6a2837d45a073272f313e4cf97f6"},
 ]
 
 [package.dependencies]
@@ -157,31 +146,129 @@ files = [
 
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 name = "charset-normalizer"
-version = "2.0.12"
+version = "3.0.1"
 description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet."
 category = "dev"
 optional = false
-python-versions = ">=3.5.0"
+python-versions = "*"
 files = [
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-    {file = "charset_normalizer-2.0.12-py3-none-any.whl", hash = "sha256:6881edbebdb17b39b4eaaa821b438bf6eddffb4468cf344f09f89def34a8b1df"},
+    {file = "charset-normalizer-3.0.1.tar.gz", hash = "sha256:ebea339af930f8ca5d7a699b921106c6e29c617fe9606fa7baa043c1cdae326f"},
+    {file = "charset_normalizer-3.0.1-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:88600c72ef7587fe1708fd242b385b6ed4b8904976d5da0893e31df8b3480cb6"},
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+name = "classify-imports"
+version = "4.2.0"
+description = "Utilities for refactoring imports in python-like syntax."
+category = "dev"
+optional = false
+python-versions = ">=3.7"
+files = [
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-[package.extras]
-unicode-backport = ["unicodedata2"]
-
 [[package]]
 name = "click"
-version = "7.1.2"
+version = "8.1.3"
 description = "Composable command line interface toolkit"
 category = "main"
 optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+python-versions = ">=3.7"
 files = [
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 ]
 
+[package.dependencies]
+colorama = {version = "*", markers = "platform_system == \"Windows\""}
+
 [[package]]
 name = "cmaes"
 version = "0.9.1"
@@ -202,26 +289,26 @@ cmawm = ["scipy"]
 
 [[package]]
 name = "colorama"
-version = "0.4.4"
+version = "0.4.6"
 description = "Cross-platform colored terminal text."
 category = "main"
 optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
 files = [
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 ]
 
 [[package]]
 name = "colorlog"
-version = "6.6.0"
+version = "6.7.0"
 description = "Add colours to the output of Python's logging module."
 category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
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 ]
 
 [package.dependencies]
@@ -232,53 +319,62 @@ development = ["black", "flake8", "mypy", "pytest", "types-colorama"]
 
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-version = "6.4.1"
+version = "6.5.0"
 description = "Code coverage measurement for Python"
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 optional = false
 python-versions = ">=3.7"
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 ]
 
 [package.dependencies]
@@ -301,38 +397,38 @@ files = [
 
 [[package]]
 name = "distlib"
-version = "0.3.4"
+version = "0.3.6"
 description = "Distribution utilities"
 category = "dev"
 optional = false
 python-versions = "*"
 files = [
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-    {file = "distlib-0.3.4.zip", hash = "sha256:e4b58818180336dc9c529bfb9a0b58728ffc09ad92027a3f30b7cd91e3458579"},
+    {file = "distlib-0.3.6-py2.py3-none-any.whl", hash = "sha256:f35c4b692542ca110de7ef0bea44d73981caeb34ca0b9b6b2e6d7790dda8f80e"},
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 ]
 
 [[package]]
 name = "docutils"
-version = "0.17.1"
+version = "0.18.1"
 description = "Docutils -- Python Documentation Utilities"
 category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
 files = [
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 ]
 
 [[package]]
 name = "dparse"
-version = "0.5.2"
+version = "0.6.2"
 description = "A parser for Python dependency files"
 category = "dev"
 optional = false
 python-versions = ">=3.5"
 files = [
-    {file = "dparse-0.5.2-py3-none-any.whl", hash = "sha256:b1514fb08895d85b18d4eba3b1b7025ff9e6ea07286282021e19def872129975"},
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 ]
 
 [package.dependencies]
@@ -345,14 +441,14 @@ pipenv = ["pipenv"]
 
 [[package]]
 name = "exceptiongroup"
-version = "1.0.1"
+version = "1.1.0"
 description = "Backport of PEP 654 (exception groups)"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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+    {file = "exceptiongroup-1.1.0.tar.gz", hash = "sha256:bcb67d800a4497e1b404c2dd44fca47d3b7a5e5433dbab67f96c1a685cdfdf23"},
 ]
 
 [package.extras]
@@ -360,19 +456,19 @@ test = ["pytest (>=6)"]
 
 [[package]]
 name = "filelock"
-version = "3.7.1"
+version = "3.9.0"
 description = "A platform independent file lock."
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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+    {file = "filelock-3.9.0-py3-none-any.whl", hash = "sha256:f58d535af89bb9ad5cd4df046f741f8553a418c01a7856bf0d173bbc9f6bd16d"},
+    {file = "filelock-3.9.0.tar.gz", hash = "sha256:7b319f24340b51f55a2bf7a12ac0755a9b03e718311dac567a0f4f7fabd2f5de"},
 ]
 
 [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)"]
+docs = ["furo (>=2022.12.7)", "sphinx (>=5.3)", "sphinx-autodoc-typehints (>=1.19.5)"]
+testing = ["covdefaults (>=2.2.2)", "coverage (>=7.0.1)", "pytest (>=7.2)", "pytest-cov (>=4)", "pytest-timeout (>=2.1)"]
 
 [[package]]
 name = "flake8"
@@ -411,14 +507,14 @@ pycodestyle = "*"
 
 [[package]]
 name = "flake8-bugbear"
-version = "22.4.25"
+version = "22.12.6"
 description = "A plugin for flake8 finding likely bugs and design problems in your program. Contains warnings that don't belong in pyflakes and pycodestyle."
 category = "dev"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.7"
 files = [
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-    {file = "flake8_bugbear-22.4.25-py3-none-any.whl", hash = "sha256:ec374101cddf65bd7a96d393847d74e58d3b98669dbf9768344c39b6290e8bd6"},
+    {file = "flake8-bugbear-22.12.6.tar.gz", hash = "sha256:4cdb2c06e229971104443ae293e75e64c6107798229202fbe4f4091427a30ac0"},
+    {file = "flake8_bugbear-22.12.6-py3-none-any.whl", hash = "sha256:b69a510634f8a9c298dfda2b18a8036455e6b19ecac4fe582e4d7a0abfa50a30"},
 ]
 
 [package.dependencies]
@@ -426,18 +522,18 @@ attrs = ">=19.2.0"
 flake8 = ">=3.0.0"
 
 [package.extras]
-dev = ["coverage", "hypothesis", "hypothesmith (>=0.2)", "pre-commit"]
+dev = ["coverage", "hypothesis", "hypothesmith (>=0.2)", "pre-commit", "tox"]
 
 [[package]]
 name = "flake8-docstrings"
-version = "1.6.0"
+version = "1.7.0"
 description = "Extension for flake8 which uses pydocstyle to check docstrings"
 category = "dev"
 optional = false
-python-versions = "*"
+python-versions = ">=3.7"
 files = [
-    {file = "flake8-docstrings-1.6.0.tar.gz", hash = "sha256:9fe7c6a306064af8e62a055c2f61e9eb1da55f84bb39caef2b84ce53708ac34b"},
-    {file = "flake8_docstrings-1.6.0-py2.py3-none-any.whl", hash = "sha256:99cac583d6c7e32dd28bbfbef120a7c0d1b6dde4adb5a9fd441c4227a6534bde"},
+    {file = "flake8_docstrings-1.7.0-py2.py3-none-any.whl", hash = "sha256:51f2344026da083fc084166a9353f5082b01f72901df422f74b4d953ae88ac75"},
+    {file = "flake8_docstrings-1.7.0.tar.gz", hash = "sha256:4c8cc748dc16e6869728699e5d0d685da9a10b0ea718e090b1ba088e67a941af"},
 ]
 
 [package.dependencies]
@@ -481,14 +577,14 @@ develop = ["build", "twine"]
 
 [[package]]
 name = "gitdb"
-version = "4.0.9"
+version = "4.0.10"
 description = "Git Object Database"
 category = "dev"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.7"
 files = [
-    {file = "gitdb-4.0.9-py3-none-any.whl", hash = "sha256:8033ad4e853066ba6ca92050b9df2f89301b8fc8bf7e9324d412a63f8bf1a8fd"},
-    {file = "gitdb-4.0.9.tar.gz", hash = "sha256:bac2fd45c0a1c9cf619e63a90d62bdc63892ef92387424b855792a6cabe789aa"},
+    {file = "gitdb-4.0.10-py3-none-any.whl", hash = "sha256:c286cf298426064079ed96a9e4a9d39e7f3e9bf15ba60701e95f5492f28415c7"},
+    {file = "gitdb-4.0.10.tar.gz", hash = "sha256:6eb990b69df4e15bad899ea868dc46572c3f75339735663b81de79b06f17eb9a"},
 ]
 
 [package.dependencies]
@@ -496,14 +592,14 @@ smmap = ">=3.0.1,<6"
 
 [[package]]
 name = "gitpython"
-version = "3.1.27"
+version = "3.1.30"
 description = "GitPython is a python library used to interact with Git repositories"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
@@ -511,82 +607,88 @@ gitdb = ">=4.0.1,<5"
 
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 ]
 
 [package.extras]
-docs = ["Sphinx"]
+docs = ["Sphinx", "docutils (<0.18)"]
+test = ["objgraph", "psutil"]
 
 [[package]]
 name = "identify"
-version = "2.5.1"
+version = "2.5.17"
 description = "File identification library for Python"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "identify-2.5.1-py2.py3-none-any.whl", hash = "sha256:0dca2ea3e4381c435ef9c33ba100a78a9b40c0bab11189c7cf121f75815efeaa"},
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 ]
 
 [package.extras]
@@ -594,77 +696,77 @@ license = ["ukkonen"]
 
 [[package]]
 name = "idna"
-version = "3.3"
+version = "3.4"
 description = "Internationalized Domain Names in Applications (IDNA)"
 category = "dev"
 optional = false
 python-versions = ">=3.5"
 files = [
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-    {file = "idna-3.3.tar.gz", hash = "sha256:9d643ff0a55b762d5cdb124b8eaa99c66322e2157b69160bc32796e824360e6d"},
+    {file = "idna-3.4-py3-none-any.whl", hash = "sha256:90b77e79eaa3eba6de819a0c442c0b4ceefc341a7a2ab77d7562bf49f425c5c2"},
+    {file = "idna-3.4.tar.gz", hash = "sha256:814f528e8dead7d329833b91c5faa87d60bf71824cd12a7530b5526063d02cb4"},
 ]
 
 [[package]]
 name = "imagesize"
-version = "1.3.0"
+version = "1.4.1"
 description = "Getting image size from png/jpeg/jpeg2000/gif file"
 category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
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+    {file = "imagesize-1.4.1-py2.py3-none-any.whl", hash = "sha256:0d8d18d08f840c19d0ee7ca1fd82490fdc3729b7ac93f49870406ddde8ef8d8b"},
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 ]
 
 [[package]]
 name = "importlib-metadata"
-version = "4.11.4"
+version = "6.0.0"
 description = "Read metadata from Python packages"
 category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
 zipp = ">=0.5"
 
 [package.extras]
-docs = ["jaraco.packaging (>=9)", "rst.linker (>=1.9)", "sphinx"]
+docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
 perf = ["ipython"]
-testing = ["flufl.flake8", "importlib-resources (>=1.3)", "packaging", "pyfakefs", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.0.1)", "pytest-flake8", "pytest-mypy (>=0.9.1)", "pytest-perf (>=0.9.2)"]
+testing = ["flake8 (<5)", "flufl.flake8", "importlib-resources (>=1.3)", "packaging", "pyfakefs", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-flake8", "pytest-mypy (>=0.9.1)", "pytest-perf (>=0.9.2)"]
 
 [[package]]
 name = "importlib-resources"
-version = "5.8.0"
+version = "5.10.2"
 description = "Read resources from Python packages"
 category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
 zipp = {version = ">=3.1.0", markers = "python_version < \"3.10\""}
 
 [package.extras]
-docs = ["jaraco.packaging (>=9)", "rst.linker (>=1.9)", "sphinx"]
-testing = ["pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.0.1)", "pytest-flake8", "pytest-mypy (>=0.9.1)"]
+docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
+testing = ["flake8 (<5)", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-flake8", "pytest-mypy (>=0.9.1)"]
 
 [[package]]
 name = "iniconfig"
-version = "1.1.1"
-description = "iniconfig: brain-dead simple config-ini parsing"
+version = "2.0.0"
+description = "brain-dead simple config-ini parsing"
 category = "dev"
 optional = false
-python-versions = "*"
+python-versions = ">=3.7"
 files = [
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+    {file = "iniconfig-2.0.0.tar.gz", hash = "sha256:2d91e135bf72d31a410b17c16da610a82cb55f6b0477d1a902134b24a455b8b3"},
 ]
 
 [[package]]
@@ -687,20 +789,20 @@ i18n = ["Babel (>=2.7)"]
 
 [[package]]
 name = "kallisto"
-version = "1.0.7"
+version = "1.0.9"
 description = "The Kallisto software enables the efficient calculation of atomic features that can be used within a quantitative structure-activity relationship (QSAR) approach. Furthermore, several modelling helpers are implemented."
 category = "main"
 optional = false
-python-versions = ">=3.7,<4.0"
+python-versions = ">=3.8,<4.0"
 files = [
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+    {file = "kallisto-1.0.9.tar.gz", hash = "sha256:35b3f3371547ba8024cb99b6703d91cccef03b6ccd90cd0179f9773a7fa7caa1"},
 ]
 
 [package.dependencies]
-click = ">=7.1.2,<8.0.0"
+click = ">=8.0.0,<9.0.0"
 numpy = ">=1.19.0,<2.0.0"
-scipy = ">=1.5.2,<2.0.0"
+scipy = "1.9.2"
 
 [[package]]
 name = "livereload"
@@ -719,15 +821,15 @@ six = "*"
 tornado = {version = "*", markers = "python_version > \"2.7\""}
 
 [[package]]
-name = "Mako"
-version = "1.2.2"
+name = "mako"
+version = "1.2.4"
 description = "A super-fast templating language that borrows the best ideas from the existing templating languages."
 category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
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-    {file = "Mako-1.2.2.tar.gz", hash = "sha256:3724869b363ba630a272a5f89f68c070352137b8fd1757650017b7e06fda163f"},
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 ]
 
 [package.dependencies]
@@ -740,52 +842,62 @@ testing = ["pytest"]
 
 [[package]]
 name = "markupsafe"
-version = "2.1.1"
+version = "2.1.2"
 description = "Safely add untrusted strings to HTML/XML markup."
 category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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+    {file = "Pillow-9.4.0-pp38-pypy38_pp73-win_amd64.whl", hash = "sha256:e9d7747847c53a16a729b6ee5e737cf170f7a16611c143d95aa60a109a59c336"},
+    {file = "Pillow-9.4.0-pp39-pypy39_pp73-macosx_10_10_x86_64.whl", hash = "sha256:b52ff4f4e002f828ea6483faf4c4e8deea8d743cf801b74910243c58acc6eda3"},
+    {file = "Pillow-9.4.0-pp39-pypy39_pp73-manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:575d8912dca808edd9acd6f7795199332696d3469665ef26163cd090fa1f8bfa"},
+    {file = "Pillow-9.4.0-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:c3c4ed2ff6760e98d262e0cc9c9a7f7b8a9f61aa4d47c58835cdaf7b0b8811bb"},
+    {file = "Pillow-9.4.0-pp39-pypy39_pp73-manylinux_2_28_x86_64.whl", hash = "sha256:e621b0246192d3b9cb1dc62c78cfa4c6f6d2ddc0ec207d43c0dedecb914f152a"},
+    {file = "Pillow-9.4.0-pp39-pypy39_pp73-win_amd64.whl", hash = "sha256:8f127e7b028900421cad64f51f75c051b628db17fb00e099eb148761eed598c9"},
+    {file = "Pillow-9.4.0.tar.gz", hash = "sha256:a1c2d7780448eb93fbcc3789bf3916aa5720d942e37945f4056680317f1cd23e"},
 ]
 
 [package.extras]
-docs = ["furo", "olefile", "sphinx (>=2.4)", "sphinx-copybutton", "sphinx-issues (>=3.0.1)", "sphinx-removed-in", "sphinxext-opengraph"]
+docs = ["furo", "olefile", "sphinx (>=2.4)", "sphinx-copybutton", "sphinx-inline-tabs", "sphinx-issues (>=3.0.1)", "sphinx-removed-in", "sphinxext-opengraph"]
 tests = ["check-manifest", "coverage", "defusedxml", "markdown2", "olefile", "packaging", "pyroma", "pytest", "pytest-cov", "pytest-timeout"]
 
 [[package]]
 name = "platformdirs"
-version = "2.5.2"
-description = "A small Python module for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
+version = "3.0.0"
+description = "A small Python package for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "platformdirs-2.5.2-py3-none-any.whl", hash = "sha256:027d8e83a2d7de06bbac4e5ef7e023c02b863d7ea5d079477e722bb41ab25788"},
-    {file = "platformdirs-2.5.2.tar.gz", hash = "sha256:58c8abb07dcb441e6ee4b11d8df0ac856038f944ab98b7be6b27b2a3c7feef19"},
+    {file = "platformdirs-3.0.0-py3-none-any.whl", hash = "sha256:b1d5eb14f221506f50d6604a561f4c5786d9e80355219694a1b244bcd96f4567"},
+    {file = "platformdirs-3.0.0.tar.gz", hash = "sha256:8a1228abb1ef82d788f74139988b137e78692984ec7b08eaa6c65f1723af28f9"},
 ]
 
 [package.extras]
-docs = ["furo (>=2021.7.5b38)", "proselint (>=0.10.2)", "sphinx (>=4)", "sphinx-autodoc-typehints (>=1.12)"]
-test = ["appdirs (==1.4.4)", "pytest (>=6)", "pytest-cov (>=2.7)", "pytest-mock (>=3.6)"]
+docs = ["furo (>=2022.12.7)", "proselint (>=0.13)", "sphinx (>=6.1.3)", "sphinx-autodoc-typehints (>=1.22,!=1.23.4)"]
+test = ["appdirs (==1.4.4)", "covdefaults (>=2.2.2)", "pytest (>=7.2.1)", "pytest-cov (>=4)", "pytest-mock (>=3.10)"]
 
 [[package]]
 name = "pluggy"
@@ -1100,14 +1234,14 @@ testing = ["pytest", "pytest-benchmark"]
 
 [[package]]
 name = "pre-commit"
-version = "2.20.0"
+version = "2.21.0"
 description = "A framework for managing and maintaining multi-language pre-commit hooks."
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "pre_commit-2.20.0-py2.py3-none-any.whl", hash = "sha256:51a5ba7c480ae8072ecdb6933df22d2f812dc897d5fe848778116129a681aac7"},
-    {file = "pre_commit-2.20.0.tar.gz", hash = "sha256:a978dac7bc9ec0bcee55c18a277d553b0f419d259dadb4b9418ff2d00eb43959"},
+    {file = "pre_commit-2.21.0-py2.py3-none-any.whl", hash = "sha256:e2f91727039fc39a92f58a588a25b87f936de6567eed4f0e673e0507edc75bad"},
+    {file = "pre_commit-2.21.0.tar.gz", hash = "sha256:31ef31af7e474a8d8995027fefdfcf509b5c913ff31f2015b4ec4beb26a6f658"},
 ]
 
 [package.dependencies]
@@ -1115,19 +1249,18 @@ cfgv = ">=2.0.0"
 identify = ">=1.0.0"
 nodeenv = ">=0.11.1"
 pyyaml = ">=5.1"
-toml = "*"
-virtualenv = ">=20.0.8"
+virtualenv = ">=20.10.0"
 
 [[package]]
 name = "pre-commit-hooks"
-version = "4.3.0"
+version = "4.4.0"
 description = "Some out-of-the-box hooks for pre-commit."
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "pre_commit_hooks-4.3.0-py2.py3-none-any.whl", hash = "sha256:9ccaf7c98794659d345080ee1ea0256a55ae059675045eebdbbc17c0be8c7e4b"},
-    {file = "pre_commit_hooks-4.3.0.tar.gz", hash = "sha256:fda598a4c834d030727e6a615722718b47510f4bed72df4c949f95ba9f5aaf88"},
+    {file = "pre_commit_hooks-4.4.0-py2.py3-none-any.whl", hash = "sha256:fc8837335476221ccccda3d176ed6ae29fe58753ce7e8b7863f5d0f987328fc6"},
+    {file = "pre_commit_hooks-4.4.0.tar.gz", hash = "sha256:7011eed8e1a25cde94693da009cba76392194cecc2f3f06c51a44ea6ad6c2af9"},
 ]
 
 [package.dependencies]
@@ -1148,21 +1281,21 @@ files = [
 
 [[package]]
 name = "pydocstyle"
-version = "6.1.1"
+version = "6.3.0"
 description = "Python docstring style checker"
 category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
-    {file = "pydocstyle-6.1.1-py3-none-any.whl", hash = "sha256:6987826d6775056839940041beef5c08cc7e3d71d63149b48e36727f70144dc4"},
-    {file = "pydocstyle-6.1.1.tar.gz", hash = "sha256:1d41b7c459ba0ee6c345f2eb9ae827cab14a7533a88c5c6f7e94923f72df92dc"},
+    {file = "pydocstyle-6.3.0-py3-none-any.whl", hash = "sha256:118762d452a49d6b05e194ef344a55822987a462831ade91ec5c06fd2169d019"},
+    {file = "pydocstyle-6.3.0.tar.gz", hash = "sha256:7ce43f0c0ac87b07494eb9c0b462c0b73e6ff276807f204d6b53edc72b7e44e1"},
 ]
 
 [package.dependencies]
-snowballstemmer = "*"
+snowballstemmer = ">=2.2.0"
 
 [package.extras]
-toml = ["toml"]
+toml = ["tomli (>=1.2.3)"]
 
 [[package]]
 name = "pyflakes"
@@ -1178,41 +1311,29 @@ files = [
 
 [[package]]
 name = "pygments"
-version = "2.12.0"
+version = "2.14.0"
 description = "Pygments is a syntax highlighting package written in Python."
 category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
-    {file = "Pygments-2.12.0-py3-none-any.whl", hash = "sha256:dc9c10fb40944260f6ed4c688ece0cd2048414940f1cea51b8b226318411c519"},
-    {file = "Pygments-2.12.0.tar.gz", hash = "sha256:5eb116118f9612ff1ee89ac96437bb6b49e8f04d8a13b514ba26f620208e26eb"},
-]
-
-[[package]]
-name = "pyparsing"
-version = "3.0.9"
-description = "pyparsing module - Classes and methods to define and execute parsing grammars"
-category = "main"
-optional = false
-python-versions = ">=3.6.8"
-files = [
-    {file = "pyparsing-3.0.9-py3-none-any.whl", hash = "sha256:5026bae9a10eeaefb61dab2f09052b9f4307d44aee4eda64b309723d8d206bbc"},
-    {file = "pyparsing-3.0.9.tar.gz", hash = "sha256:2b020ecf7d21b687f219b71ecad3631f644a47f01403fa1d1036b0c6416d70fb"},
+    {file = "Pygments-2.14.0-py3-none-any.whl", hash = "sha256:fa7bd7bd2771287c0de303af8bfdfc731f51bd2c6a47ab69d117138893b82717"},
+    {file = "Pygments-2.14.0.tar.gz", hash = "sha256:b3ed06a9e8ac9a9aae5a6f5dbe78a8a58655d17b43b93c078f094ddc476ae297"},
 ]
 
 [package.extras]
-diagrams = ["jinja2", "railroad-diagrams"]
+plugins = ["importlib-metadata"]
 
 [[package]]
 name = "pytest"
-version = "7.2.0"
+version = "7.2.1"
 description = "pytest: simple powerful testing with Python"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "pytest-7.2.0-py3-none-any.whl", hash = "sha256:892f933d339f068883b6fd5a459f03d85bfcb355e4981e146d2c7616c21fef71"},
-    {file = "pytest-7.2.0.tar.gz", hash = "sha256:c4014eb40e10f11f355ad4e3c2fb2c6c6d1919c73f3b5a433de4708202cade59"},
+    {file = "pytest-7.2.1-py3-none-any.whl", hash = "sha256:c7c6ca206e93355074ae32f7403e8ea12163b1163c976fee7d4d84027c162be5"},
+    {file = "pytest-7.2.1.tar.gz", hash = "sha256:d45e0952f3727241918b8fd0f376f5ff6b301cc0777c6f9a556935c92d8a7d42"},
 ]
 
 [package.dependencies]
@@ -1229,14 +1350,14 @@ testing = ["argcomplete", "hypothesis (>=3.56)", "mock", "nose", "pygments (>=2.
 
 [[package]]
 name = "pytz"
-version = "2022.1"
+version = "2022.7.1"
 description = "World timezone definitions, modern and historical"
 category = "dev"
 optional = false
 python-versions = "*"
 files = [
-    {file = "pytz-2022.1-py2.py3-none-any.whl", hash = "sha256:e68985985296d9a66a881eb3193b0906246245294a881e7c8afe623866ac6a5c"},
-    {file = "pytz-2022.1.tar.gz", hash = "sha256:1e760e2fe6a8163bc0b3d9a19c4f84342afa0a2affebfaa84b01b978a02ecaa7"},
+    {file = "pytz-2022.7.1-py2.py3-none-any.whl", hash = "sha256:78f4f37d8198e0627c5f1143240bb0206b8691d8d7ac6d78fee88b78733f8c4a"},
+    {file = "pytz-2022.7.1.tar.gz", hash = "sha256:01a0681c4b9684a28304615eba55d1ab31ae00bf68ec157ec3708a8182dbbcd0"},
 ]
 
 [[package]]
@@ -1327,40 +1448,40 @@ Pillow = "*"
 
 [[package]]
 name = "reorder-python-imports"
-version = "3.1.0"
+version = "3.9.0"
 description = "Tool for reordering python imports"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "reorder_python_imports-3.1.0-py2.py3-none-any.whl", hash = "sha256:b0ad7c75d8dbf0941f005954764dc0c4673416a7cf15fe1710e89bdd2b965ef5"},
-    {file = "reorder_python_imports-3.1.0.tar.gz", hash = "sha256:6b7a810ee77a9be0e646033d034ce02457e32597c5f48e5faec1866ca9eb4957"},
+    {file = "reorder_python_imports-3.9.0-py2.py3-none-any.whl", hash = "sha256:3f9c16e8781f54c944756d0d1eb34a8c863554f7a4eb3693f574fe19b1a29b56"},
+    {file = "reorder_python_imports-3.9.0.tar.gz", hash = "sha256:49292ed537829a6bece9fb3746fc1bbe98f52643be5de01a4e13680268a5b0ec"},
 ]
 
 [package.dependencies]
-"aspy.refactor-imports" = ">=2.3.0"
+classify-imports = ">=4.1"
 
 [[package]]
 name = "requests"
-version = "2.27.1"
+version = "2.28.2"
 description = "Python HTTP for Humans."
 category = "dev"
 optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*"
+python-versions = ">=3.7, <4"
 files = [
-    {file = "requests-2.27.1-py2.py3-none-any.whl", hash = "sha256:f22fa1e554c9ddfd16e6e41ac79759e17be9e492b3587efa038054674760e72d"},
-    {file = "requests-2.27.1.tar.gz", hash = "sha256:68d7c56fd5a8999887728ef304a6d12edc7be74f1cfa47714fc8b414525c9a61"},
+    {file = "requests-2.28.2-py3-none-any.whl", hash = "sha256:64299f4909223da747622c030b781c0d7811e359c37124b4bd368fb8c6518baa"},
+    {file = "requests-2.28.2.tar.gz", hash = "sha256:98b1b2782e3c6c4904938b84c0eb932721069dfdb9134313beff7c83c2df24bf"},
 ]
 
 [package.dependencies]
 certifi = ">=2017.4.17"
-charset-normalizer = {version = ">=2.0.0,<2.1.0", markers = "python_version >= \"3\""}
-idna = {version = ">=2.5,<4", markers = "python_version >= \"3\""}
+charset-normalizer = ">=2,<4"
+idna = ">=2.5,<4"
 urllib3 = ">=1.21.1,<1.27"
 
 [package.extras]
-socks = ["PySocks (>=1.5.6,!=1.5.7)", "win-inet-pton"]
-use-chardet-on-py3 = ["chardet (>=3.0.2,<5)"]
+socks = ["PySocks (>=1.5.6,!=1.5.7)"]
+use-chardet-on-py3 = ["chardet (>=3.0.2,<6)"]
 
 [[package]]
 name = "restructuredtext-lint"
@@ -1377,7 +1498,7 @@ files = [
 docutils = ">=0.11,<1.0"
 
 [[package]]
-name = "ruamel.yaml"
+name = "ruamel-yaml"
 version = "0.17.21"
 description = "ruamel.yaml is a YAML parser/emitter that supports roundtrip preservation of comments, seq/map flow style, and map key order"
 category = "dev"
@@ -1396,43 +1517,47 @@ docs = ["ryd"]
 jinja2 = ["ruamel.yaml.jinja2 (>=0.2)"]
 
 [[package]]
-name = "ruamel.yaml.clib"
-version = "0.2.6"
+name = "ruamel-yaml-clib"
+version = "0.2.7"
 description = "C version of reader, parser and emitter for ruamel.yaml derived from libyaml"
 category = "dev"
 optional = false
 python-versions = ">=3.5"
 files = [
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 [[package]]
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 name = "scipy"
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-description = "SciPy: Scientific Library for Python"
+version = "1.9.2"
+description = "Fundamental algorithms for scientific computing in Python"
 category = "main"
 optional = false
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 ]
 
 [package.dependencies]
-numpy = ">=1.16.5"
+numpy = ">=1.18.5,<1.26.0"
+
+[package.extras]
+dev = ["flake8", "mypy", "pycodestyle", "typing_extensions"]
+doc = ["matplotlib (>2)", "numpydoc", "pydata-sphinx-theme (==0.9.0)", "sphinx (!=4.1.0)", "sphinx-panels (>=0.5.2)", "sphinx-tabs"]
+test = ["asv", "gmpy2", "mpmath", "pytest", "pytest-cov", "pytest-xdist", "scikit-umfpack", "threadpoolctl"]
 
 [[package]]
 name = "setuptools"
-version = "65.5.1"
+version = "67.2.0"
 description = "Easily download, build, install, upgrade, and uninstall Python packages"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.extras]
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+docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "pygments-github-lexers (==0.0.5)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-favicon", "sphinx-hoverxref (<2)", "sphinx-inline-tabs", "sphinx-lint", "sphinx-notfound-page (==0.8.3)", "sphinx-reredirects", "sphinxcontrib-towncrier"]
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 testing-integration = ["build[virtualenv]", "filelock (>=3.4.0)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "pytest", "pytest-enabler", "pytest-xdist", "tomli", "virtualenv (>=13.0.0)", "wheel"]
 
@@ -1541,28 +1673,28 @@ files = [
 
 [[package]]
 name = "sphinx"
-version = "5.0.2"
+version = "5.3.0"
 description = "Python documentation generator"
 category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
-    {file = "Sphinx-5.0.2-py3-none-any.whl", hash = "sha256:d3e57663eed1d7c5c50895d191fdeda0b54ded6f44d5621b50709466c338d1e8"},
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+    {file = "Sphinx-5.3.0.tar.gz", hash = "sha256:51026de0a9ff9fc13c05d74913ad66047e104f56a129ff73e174eb5c3ee794b5"},
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-colorama = {version = ">=0.3.5", markers = "sys_platform == \"win32\""}
-docutils = ">=0.14,<0.19"
-imagesize = "*"
-importlib-metadata = {version = ">=4.4", markers = "python_version < \"3.10\""}
-Jinja2 = ">=2.3"
-packaging = "*"
-Pygments = ">=2.0"
+babel = ">=2.9"
+colorama = {version = ">=0.4.5", markers = "sys_platform == \"win32\""}
+docutils = ">=0.14,<0.20"
+imagesize = ">=1.3"
+importlib-metadata = {version = ">=4.8", markers = "python_version < \"3.10\""}
+Jinja2 = ">=3.0"
+packaging = ">=21.0"
+Pygments = ">=2.12"
 requests = ">=2.5.0"
-snowballstemmer = ">=1.1"
+snowballstemmer = ">=2.0"
 sphinxcontrib-applehelp = "*"
 sphinxcontrib-devhelp = "*"
 sphinxcontrib-htmlhelp = ">=2.0.0"
@@ -1572,8 +1704,8 @@ sphinxcontrib-serializinghtml = ">=1.1.5"
 
 [package.extras]
 docs = ["sphinxcontrib-websupport"]
-lint = ["docutils-stubs", "flake8 (>=3.5.0)", "isort", "mypy (>=0.950)", "types-requests", "types-typed-ast"]
-test = ["cython", "html5lib", "pytest (>=4.6)", "typed-ast"]
+lint = ["docutils-stubs", "flake8 (>=3.5.0)", "flake8-bugbear", "flake8-comprehensions", "flake8-simplify", "isort", "mypy (>=0.981)", "sphinx-lint", "types-requests", "types-typed-ast"]
+test = ["cython", "html5lib", "pytest (>=4.6)", "typed_ast"]
 
 [[package]]
 name = "sphinx-autobuild"
@@ -1597,14 +1729,14 @@ test = ["pytest", "pytest-cov"]
 
 [[package]]
 name = "sphinx-click"
-version = "4.1.0"
+version = "4.4.0"
 description = "Sphinx extension that automatically documents click applications"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
@@ -1614,33 +1746,34 @@ sphinx = ">=2.0"
 
 [[package]]
 name = "sphinx-rtd-theme"
-version = "1.0.0"
+version = "1.2.0"
 description = "Read the Docs theme for Sphinx"
 category = "dev"
 optional = false
-python-versions = ">=2.7,!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*"
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 files = [
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 ]
 
 [package.dependencies]
-docutils = "<0.18"
-sphinx = ">=1.6"
+docutils = "<0.19"
+sphinx = ">=1.6,<7"
+sphinxcontrib-jquery = {version = ">=2.0.0,<3.0.0 || >3.0.0", markers = "python_version > \"3\""}
 
 [package.extras]
-dev = ["bump2version", "sphinxcontrib-httpdomain", "transifex-client"]
+dev = ["bump2version", "sphinxcontrib-httpdomain", "transifex-client", "wheel"]
 
 [[package]]
 name = "sphinxcontrib-applehelp"
-version = "1.0.2"
-description = "sphinxcontrib-applehelp is a sphinx extension which outputs Apple help books"
+version = "1.0.4"
+description = "sphinxcontrib-applehelp is a Sphinx extension which outputs Apple help books"
 category = "dev"
 optional = false
-python-versions = ">=3.5"
+python-versions = ">=3.8"
 files = [
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 ]
 
 [package.extras]
@@ -1665,20 +1798,35 @@ test = ["pytest"]
 
 [[package]]
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-version = "2.0.0"
+version = "2.0.1"
 description = "sphinxcontrib-htmlhelp is a sphinx extension which renders HTML help files"
 category = "dev"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.8"
 files = [
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 ]
 
 [package.extras]
 lint = ["docutils-stubs", "flake8", "mypy"]
 test = ["html5lib", "pytest"]
 
+[[package]]
+name = "sphinxcontrib-jquery"
+version = "2.0.0"
+description = "Extension to include jQuery on newer Sphinx releases"
+category = "dev"
+optional = false
+python-versions = ">=2.7"
+files = [
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+]
+
+[package.dependencies]
+setuptools = "*"
+
 [[package]]
 name = "sphinxcontrib-jsmath"
 version = "1.0.1"
@@ -1728,84 +1876,92 @@ test = ["pytest"]
 
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 category = "main"
 optional = true
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 postgresql-psycopg2cffi = ["psycopg2cffi"]
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 sqlcipher = ["sqlcipher3-binary"]
 
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 description = "Fast, Extensible Progress Meter"
 category = "main"
 optional = true
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,>=2.7"
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-    {file = "tqdm-4.64.0.tar.gz", hash = "sha256:40be55d30e200777a307a7585aee69e4eabb46b4ec6a4b4a5f2d9f11e7d5408d"},
+    {file = "tqdm-4.64.1-py2.py3-none-any.whl", hash = "sha256:6fee160d6ffcd1b1c68c65f14c829c22832bc401726335ce92c52d395944a6a1"},
+    {file = "tqdm-4.64.1.tar.gz", hash = "sha256:5f4f682a004951c1b450bc753c710e9280c5746ce6ffedee253ddbcbf54cf1e4"},
 ]
 
 [package.dependencies]
@@ -1925,66 +2051,64 @@ test = ["mypy", "pytest", "typing-extensions"]
 
 [[package]]
 name = "typing-extensions"
-version = "4.2.0"
+version = "4.4.0"
 description = "Backported and Experimental Type Hints for Python 3.7+"
-category = "dev"
+category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "typing_extensions-4.2.0-py3-none-any.whl", hash = "sha256:6657594ee297170d19f67d55c05852a874e7eb634f4f753dbd667855e07c1708"},
-    {file = "typing_extensions-4.2.0.tar.gz", hash = "sha256:f1c24655a0da0d1b67f07e17a5e6b2a105894e6824b92096378bb3668ef02376"},
+    {file = "typing_extensions-4.4.0-py3-none-any.whl", hash = "sha256:16fa4864408f655d35ec496218b85f79b3437c829e93320c7c9215ccfd92489e"},
+    {file = "typing_extensions-4.4.0.tar.gz", hash = "sha256:1511434bb92bf8dd198c12b1cc812e800d4181cfcb867674e0f8279cc93087aa"},
 ]
 
 [[package]]
 name = "urllib3"
-version = "1.26.9"
+version = "1.26.14"
 description = "HTTP library with thread-safe connection pooling, file post, and more."
 category = "dev"
 optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, <4"
+python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*"
 files = [
-    {file = "urllib3-1.26.9-py2.py3-none-any.whl", hash = "sha256:44ece4d53fb1706f667c9bd1c648f5469a2ec925fcf3a776667042d645472c14"},
-    {file = "urllib3-1.26.9.tar.gz", hash = "sha256:aabaf16477806a5e1dd19aa41f8c2b7950dd3c746362d7e3223dbe6de6ac448e"},
+    {file = "urllib3-1.26.14-py2.py3-none-any.whl", hash = "sha256:75edcdc2f7d85b137124a6c3c9fc3933cdeaa12ecb9a6a959f22797a0feca7e1"},
+    {file = "urllib3-1.26.14.tar.gz", hash = "sha256:076907bf8fd355cde77728471316625a4d2f7e713c125f51953bb5b3eecf4f72"},
 ]
 
 [package.extras]
 brotli = ["brotli (>=1.0.9)", "brotlicffi (>=0.8.0)", "brotlipy (>=0.6.0)"]
-secure = ["certifi", "cryptography (>=1.3.4)", "idna (>=2.0.0)", "ipaddress", "pyOpenSSL (>=0.14)"]
+secure = ["certifi", "cryptography (>=1.3.4)", "idna (>=2.0.0)", "ipaddress", "pyOpenSSL (>=0.14)", "urllib3-secure-extra"]
 socks = ["PySocks (>=1.5.6,!=1.5.7,<2.0)"]
 
 [[package]]
 name = "virtualenv"
-version = "20.14.1"
+version = "20.19.0"
 description = "Virtual Python Environment builder"
 category = "dev"
 optional = false
-python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
+python-versions = ">=3.7"
 files = [
-    {file = "virtualenv-20.14.1-py2.py3-none-any.whl", hash = "sha256:e617f16e25b42eb4f6e74096b9c9e37713cf10bf30168fb4a739f3fa8f898a3a"},
-    {file = "virtualenv-20.14.1.tar.gz", hash = "sha256:ef589a79795589aada0c1c5b319486797c03b67ac3984c48c669c0e4f50df3a5"},
+    {file = "virtualenv-20.19.0-py3-none-any.whl", hash = "sha256:54eb59e7352b573aa04d53f80fc9736ed0ad5143af445a1e539aada6eb947dd1"},
+    {file = "virtualenv-20.19.0.tar.gz", hash = "sha256:37a640ba82ed40b226599c522d411e4be5edb339a0c0de030c0dc7b646d61590"},
 ]
 
 [package.dependencies]
-distlib = ">=0.3.1,<1"
-filelock = ">=3.2,<4"
-platformdirs = ">=2,<3"
-six = ">=1.9.0,<2"
+distlib = ">=0.3.6,<1"
+filelock = ">=3.4.1,<4"
+platformdirs = ">=2.4,<4"
 
 [package.extras]
-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)", "packaging (>=20.0)", "pytest (>=4)", "pytest-env (>=0.6.2)", "pytest-freezegun (>=0.4.1)", "pytest-mock (>=2)", "pytest-randomly (>=1)", "pytest-timeout (>=1)"]
+docs = ["furo (>=2022.12.7)", "proselint (>=0.13)", "sphinx (>=6.1.3)", "sphinx-argparse (>=0.4)", "sphinxcontrib-towncrier (>=0.2.1a0)", "towncrier (>=22.12)"]
+test = ["covdefaults (>=2.2.2)", "coverage (>=7.1)", "coverage-enable-subprocess (>=1)", "flaky (>=3.7)", "packaging (>=23)", "pytest (>=7.2.1)", "pytest-env (>=0.8.1)", "pytest-freezegun (>=0.4.2)", "pytest-mock (>=3.10)", "pytest-randomly (>=3.12)", "pytest-timeout (>=2.1)"]
 
 [[package]]
 name = "xdoctest"
-version = "1.0.0"
+version = "1.1.1"
 description = "A rewrite of the builtin doctest module"
 category = "dev"
 optional = false
-python-versions = "*"
+python-versions = ">=3.6"
 files = [
-    {file = "xdoctest-1.0.0-py2-none-any.whl", hash = "sha256:0b0b5958e0ac0a28c5496f96b7f0adbeb0ea7e0c0a227de1ce3bc79ddb1a4f00"},
-    {file = "xdoctest-1.0.0-py3-none-any.whl", hash = "sha256:76f44dc74515ff4bdf3cc3e91a2e408cf5699cfa03367634efaadf138c7b132d"},
-    {file = "xdoctest-1.0.0.tar.gz", hash = "sha256:7ebba7e71457e6e7cf86c463699575e52b1c9cc32ee2ee5e72256d6cd3aaeb2d"},
+    {file = "xdoctest-1.1.1-py3-none-any.whl", hash = "sha256:d59d4ed91cb92e4430ef0ad1b134a2bef02adff7d2fb9c9f057547bee44081a2"},
+    {file = "xdoctest-1.1.1.tar.gz", hash = "sha256:2eac8131bdcdf2781b4e5a62d6de87f044b730cc8db8af142a51bb29c245e779"},
 ]
 
 [package.dependencies]
@@ -1993,29 +2117,35 @@ Pygments = {version = "*", optional = true, markers = "python_version >= \"3.5.0
 six = "*"
 
 [package.extras]
-all = ["IPython", "IPython", "Pygments", "Pygments", "attrs", "cmake", "codecov", "colorama", "debugpy", "ipykernel", "ipykernel", "jedi", "jinja2", "jupyter-client", "jupyter-client", "jupyter-core", "nbconvert", "ninja", "pybind11", "pytest", "pytest", "pytest", "pytest", "pytest", "pytest", "pytest-cov", "pytest-cov", "pytest-cov", "pytest-cov", "scikit-build", "six", "typing"]
+all = ["IPython", "IPython", "Pygments", "Pygments", "attrs", "codecov", "colorama", "debugpy", "debugpy", "debugpy", "debugpy", "debugpy", "ipykernel", "ipykernel", "ipython-genutils", "jedi", "jinja2", "jupyter-client", "jupyter-client", "jupyter-core", "nbconvert", "pyflakes", "pytest", "pytest", "pytest", "pytest-cov", "six", "tomli", "typing"]
+all-strict = ["IPython (==7.10.0)", "IPython (==7.23.1)", "Pygments (==2.0.0)", "Pygments (==2.4.1)", "attrs (==19.2.0)", "codecov (==2.0.15)", "colorama (==0.4.1)", "debugpy (==1.0.0)", "debugpy (==1.0.0)", "debugpy (==1.0.0)", "debugpy (==1.3.0)", "debugpy (==1.6.0)", "ipykernel (==5.2.0)", "ipykernel (==6.0.0)", "ipython-genutils (==0.2.0)", "jedi (==0.16)", "jinja2 (==3.0.0)", "jupyter-client (==6.1.5)", "jupyter-client (==7.0.0)", "jupyter-core (==4.7.0)", "nbconvert (==6.0.0)", "pyflakes (==2.2.0)", "pytest (==4.6.0)", "pytest (==4.6.0)", "pytest (==6.2.5)", "pytest-cov (==3.0.0)", "six (==1.11.0)", "tomli (==0.2.0)", "typing (==3.7.4)"]
 colors = ["Pygments", "Pygments", "colorama"]
-jupyter = ["IPython", "IPython", "attrs", "debugpy", "ipykernel", "ipykernel", "jedi", "jinja2", "jupyter-client", "jupyter-client", "jupyter-core", "nbconvert"]
-optional = ["IPython", "IPython", "Pygments", "Pygments", "attrs", "colorama", "debugpy", "ipykernel", "ipykernel", "jedi", "jinja2", "jupyter-client", "jupyter-client", "jupyter-core", "nbconvert"]
-tests = ["cmake", "codecov", "ninja", "pybind11", "pytest", "pytest", "pytest", "pytest", "pytest", "pytest", "pytest-cov", "pytest-cov", "pytest-cov", "pytest-cov", "scikit-build", "typing"]
+jupyter = ["IPython", "IPython", "attrs", "debugpy", "debugpy", "debugpy", "debugpy", "debugpy", "ipykernel", "ipykernel", "ipython-genutils", "jedi", "jinja2", "jupyter-client", "jupyter-client", "jupyter-core", "nbconvert"]
+optional = ["IPython", "IPython", "Pygments", "Pygments", "attrs", "colorama", "debugpy", "debugpy", "debugpy", "debugpy", "debugpy", "ipykernel", "ipykernel", "ipython-genutils", "jedi", "jinja2", "jupyter-client", "jupyter-client", "jupyter-core", "nbconvert", "pyflakes", "tomli"]
+optional-strict = ["IPython (==7.10.0)", "IPython (==7.23.1)", "Pygments (==2.0.0)", "Pygments (==2.4.1)", "attrs (==19.2.0)", "colorama (==0.4.1)", "debugpy (==1.0.0)", "debugpy (==1.0.0)", "debugpy (==1.0.0)", "debugpy (==1.3.0)", "debugpy (==1.6.0)", "ipykernel (==5.2.0)", "ipykernel (==6.0.0)", "ipython-genutils (==0.2.0)", "jedi (==0.16)", "jinja2 (==3.0.0)", "jupyter-client (==6.1.5)", "jupyter-client (==7.0.0)", "jupyter-core (==4.7.0)", "nbconvert (==6.0.0)", "pyflakes (==2.2.0)", "tomli (==0.2.0)"]
+runtime-strict = ["six (==1.11.0)"]
+tests = ["codecov", "pytest", "pytest", "pytest", "pytest-cov", "typing"]
+tests-binary = ["cmake", "cmake", "ninja", "ninja", "pybind11", "pybind11", "scikit-build", "scikit-build"]
+tests-binary-strict = ["cmake (==3.21.2)", "cmake (==3.25.0)", "ninja (==1.10.2)", "ninja (==1.11.1)", "pybind11 (==2.10.3)", "pybind11 (==2.7.1)", "scikit-build (==0.11.1)", "scikit-build (==0.16.1)"]
+tests-strict = ["codecov (==2.0.15)", "pytest (==4.6.0)", "pytest (==4.6.0)", "pytest (==6.2.5)", "pytest-cov (==3.0.0)", "typing (==3.7.4)"]
 
 [[package]]
 name = "zipp"
-version = "3.8.0"
+version = "3.13.0"
 description = "Backport of pathlib-compatible object wrapper for zip files"
 category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "zipp-3.8.0-py3-none-any.whl", hash = "sha256:c4f6e5bbf48e74f7a38e7cc5b0480ff42b0ae5178957d564d18932525d5cf099"},
-    {file = "zipp-3.8.0.tar.gz", hash = "sha256:56bf8aadb83c24db6c4b577e13de374ccfb67da2078beba1d037c17980bf43ad"},
+    {file = "zipp-3.13.0-py3-none-any.whl", hash = "sha256:e8b2a36ea17df80ffe9e2c4fda3f693c3dad6df1697d3cd3af232db680950b0b"},
+    {file = "zipp-3.13.0.tar.gz", hash = "sha256:23f70e964bc11a34cef175bc90ba2914e1e4545ea1e3e2f67c079671883f9cb6"},
 ]
 
 [package.extras]
-docs = ["jaraco.packaging (>=9)", "rst.linker (>=1.9)", "sphinx"]
-testing = ["func-timeout", "jaraco.itertools", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.0.1)", "pytest-flake8", "pytest-mypy (>=0.9.1)"]
+docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
+testing = ["flake8 (<5)", "func-timeout", "jaraco.functools", "jaraco.itertools", "more-itertools", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-flake8", "pytest-mypy (>=0.9.1)"]
 
 [metadata]
 lock-version = "2.0"
 python-versions = "^3.8.0"
-content-hash = "222c19e4ecc100b71da6d51b9314d785a2f6797e2d58a83428619559cde72f7f"
+content-hash = "a014f3655f5d8cffe9169442b75fde2b3cdb0e935d5928904dca8db37c91016c"
diff --git a/pyproject.toml b/pyproject.toml
index 8cec9c3..d234677 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -19,9 +19,9 @@ Changelog = "https://github.com/AstraZeneca/jazzy/releases"
 
 [tool.poetry.dependencies]
 python = "^3.8.0"
-click = "<8.0.0"
+click = "^8.0.0"
 rdkit-pypi = "<=2021.9.4"
-kallisto = "^1.0.7"
+kallisto = "^1.0.9"
 optuna = {version = "3.1.0", optional = true}
 
 [tool.poetry.dev-dependencies]

From 53993c997a10b30d5e6e4b7ffed4a0a3121b4c68 Mon Sep 17 00:00:00 2001
From: Eike Caldeweyher <hello@eikecaldeweyher.de>
Date: Mon, 13 Feb 2023 13:17:33 +0100
Subject: [PATCH 2/2] fix tests and versioning

---
 poetry.lock        | 10 +++++-----
 pyproject.toml     |  2 +-
 tests/test_main.py |  4 ++--
 3 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index b4424d3..7b34a0d 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -256,14 +256,14 @@ files = [
 
 [[package]]
 name = "click"
-version = "8.1.3"
+version = "8.0.4"
 description = "Composable command line interface toolkit"
 category = "main"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.6"
 files = [
-    {file = "click-8.1.3-py3-none-any.whl", hash = "sha256:bb4d8133cb15a609f44e8213d9b391b0809795062913b383c62be0ee95b1db48"},
-    {file = "click-8.1.3.tar.gz", hash = "sha256:7682dc8afb30297001674575ea00d1814d808d6a36af415a82bd481d37ba7b8e"},
+    {file = "click-8.0.4-py3-none-any.whl", hash = "sha256:6a7a62563bbfabfda3a38f3023a1db4a35978c0abd76f6c9605ecd6554d6d9b1"},
+    {file = "click-8.0.4.tar.gz", hash = "sha256:8458d7b1287c5fb128c90e23381cf99dcde74beaf6c7ff6384ce84d6fe090adb"},
 ]
 
 [package.dependencies]
@@ -2148,4 +2148,4 @@ testing = ["flake8 (<5)", "func-timeout", "jaraco.functools", "jaraco.itertools"
 [metadata]
 lock-version = "2.0"
 python-versions = "^3.8.0"
-content-hash = "a014f3655f5d8cffe9169442b75fde2b3cdb0e935d5928904dca8db37c91016c"
+content-hash = "98346baca989108568617e0540629091c685a736148d225033154d3ab7084321"
diff --git a/pyproject.toml b/pyproject.toml
index d234677..ff60893 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -19,7 +19,7 @@ Changelog = "https://github.com/AstraZeneca/jazzy/releases"
 
 [tool.poetry.dependencies]
 python = "^3.8.0"
-click = "^8.0.0"
+click = "8.0.4"
 rdkit-pypi = "<=2021.9.4"
 kallisto = "^1.0.9"
 optuna = {version = "3.1.0", optional = true}
diff --git a/tests/test_main.py b/tests/test_main.py
index 16651d0..f2cff91 100644
--- a/tests/test_main.py
+++ b/tests/test_main.py
@@ -20,14 +20,14 @@ def test_cli_succeeds(runner: CliRunner) -> None:
 def test_vec_succeeds(runner: CliRunner) -> None:
     """It exits with a status code of zero."""
     smiles = "CC"
-    result = runner.invoke(__main__.vec, [smiles])
+    result = runner.invoke(__main__.vec, [smiles])  # type: ignore
     assert result.exit_code == 0
 
 
 def test_vec_fails_without_smiles(runner: CliRunner) -> None:
     """It exits with no SMILES given."""
     smiles = None
-    result = runner.invoke(__main__.vec, [smiles])
+    result = runner.invoke(__main__.vec, [smiles])  # type: ignore
     assert result.exit_code == 1