From 73e10a13ea2f52bf8da62a8cca934eb5a2f717a0 Mon Sep 17 00:00:00 2001
From: Alia Lescoulie <alia.lescoulie@gmail.com>
Date: Fri, 21 Jun 2024 17:11:11 -0700
Subject: [PATCH] update pyproject to allow python 3.12

---
 poetry.lock    | 121 ++++++++++---------------------------------------
 pyproject.toml |   2 +-
 2 files changed, 24 insertions(+), 99 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index f65c5bd..0d0a325 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -1,10 +1,9 @@
-# This file is automatically @generated by Poetry 1.4.2 and should not be changed by hand.
+# This file is automatically @generated by Poetry 1.8.3 and should not be changed by hand.
 
 [[package]]
 name = "alabaster"
 version = "0.7.16"
 description = "A light, configurable Sphinx theme"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -16,7 +15,6 @@ files = [
 name = "annotated-types"
 version = "0.7.0"
 description = "Reusable constraint types to use with typing.Annotated"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -28,7 +26,6 @@ files = [
 name = "astroid"
 version = "3.2.2"
 description = "An abstract syntax tree for Python with inference support."
-category = "main"
 optional = false
 python-versions = ">=3.8.0"
 files = [
@@ -41,25 +38,23 @@ typing-extensions = {version = ">=4.0.0", markers = "python_version < \"3.11\""}
 
 [[package]]
 name = "autopep8"
-version = "2.2.0"
+version = "2.3.0"
 description = "A tool that automatically formats Python code to conform to the PEP 8 style guide"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "autopep8-2.2.0-py2.py3-none-any.whl", hash = "sha256:05418a981f038969d8bdcd5636bf15948db7555ae944b9f79b5a34b35f1370d4"},
-    {file = "autopep8-2.2.0.tar.gz", hash = "sha256:d306a0581163ac29908280ad557773a95a9bede072c0fafed6f141f5311f43c1"},
+    {file = "autopep8-2.3.0-py2.py3-none-any.whl", hash = "sha256:b716efa70cbafbf4a2c9c5ec1cabfa037a68f9e30b04c74ffa5864dd49b8f7d2"},
+    {file = "autopep8-2.3.0.tar.gz", hash = "sha256:5cfe45eb3bef8662f6a3c7e28b7c0310c7310d340074b7f0f28f9810b44b7ef4"},
 ]
 
 [package.dependencies]
-pycodestyle = ">=2.11.0"
+pycodestyle = ">=2.12.0"
 tomli = {version = "*", markers = "python_version < \"3.11\""}
 
 [[package]]
 name = "babel"
 version = "2.15.0"
 description = "Internationalization utilities"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -74,7 +69,6 @@ dev = ["freezegun (>=1.0,<2.0)", "pytest (>=6.0)", "pytest-cov"]
 name = "certifi"
 version = "2024.6.2"
 description = "Python package for providing Mozilla's CA Bundle."
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -86,7 +80,6 @@ files = [
 name = "charset-normalizer"
 version = "3.3.2"
 description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet."
-category = "main"
 optional = false
 python-versions = ">=3.7.0"
 files = [
@@ -186,7 +179,6 @@ files = [
 name = "click"
 version = "8.1.7"
 description = "Composable command line interface toolkit"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -201,7 +193,6 @@ colorama = {version = "*", markers = "platform_system == \"Windows\""}
 name = "colorama"
 version = "0.4.6"
 description = "Cross-platform colored terminal text."
-category = "main"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
 files = [
@@ -213,7 +204,6 @@ files = [
 name = "contourpy"
 version = "1.2.1"
 description = "Python library for calculating contours of 2D quadrilateral grids"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -277,7 +267,6 @@ test-no-images = ["pytest", "pytest-cov", "pytest-xdist", "wurlitzer"]
 name = "coverage"
 version = "7.5.3"
 description = "Code coverage measurement for Python"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -345,7 +334,6 @@ toml = ["tomli"]
 name = "cycler"
 version = "0.12.1"
 description = "Composable style cycles"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -361,7 +349,6 @@ tests = ["pytest", "pytest-cov", "pytest-xdist"]
 name = "dill"
 version = "0.3.8"
 description = "serialize all of Python"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -377,7 +364,6 @@ profile = ["gprof2dot (>=2022.7.29)"]
 name = "docutils"
 version = "0.20.1"
 description = "Docutils -- Python Documentation Utilities"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -389,7 +375,6 @@ files = [
 name = "exceptiongroup"
 version = "1.2.1"
 description = "Backport of PEP 654 (exception groups)"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -404,7 +389,6 @@ test = ["pytest (>=6)"]
 name = "fasteners"
 version = "0.19"
 description = "A python package that provides useful locks"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -416,7 +400,6 @@ files = [
 name = "fonttools"
 version = "4.53.0"
 description = "Tools to manipulate font files"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -482,7 +465,6 @@ woff = ["brotli (>=1.0.1)", "brotlicffi (>=0.8.0)", "zopfli (>=0.1.4)"]
 name = "griddataformats"
 version = "1.0.2"
 description = "Reading and writing of data on regular grids in Python"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -499,7 +481,6 @@ scipy = "*"
 name = "idna"
 version = "3.7"
 description = "Internationalized Domain Names in Applications (IDNA)"
-category = "main"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -511,7 +492,6 @@ files = [
 name = "imagesize"
 version = "1.4.1"
 description = "Getting image size from png/jpeg/jpeg2000/gif file"
-category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
@@ -521,29 +501,27 @@ files = [
 
 [[package]]
 name = "importlib-metadata"
-version = "7.1.0"
+version = "7.2.0"
 description = "Read metadata from Python packages"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "importlib_metadata-7.1.0-py3-none-any.whl", hash = "sha256:30962b96c0c223483ed6cc7280e7f0199feb01a0e40cfae4d4450fc6fab1f570"},
-    {file = "importlib_metadata-7.1.0.tar.gz", hash = "sha256:b78938b926ee8d5f020fc4772d487045805a55ddbad2ecf21c6d60938dc7fcd2"},
+    {file = "importlib_metadata-7.2.0-py3-none-any.whl", hash = "sha256:04e4aad329b8b948a5711d394fa8759cb80f009225441b4f2a02bd4d8e5f426c"},
+    {file = "importlib_metadata-7.2.0.tar.gz", hash = "sha256:3ff4519071ed42740522d494d04819b666541b9752c43012f85afb2cc220fcc6"},
 ]
 
 [package.dependencies]
 zipp = ">=0.5"
 
 [package.extras]
-docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
+doc = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
 perf = ["ipython"]
-testing = ["flufl.flake8", "importlib-resources (>=1.3)", "jaraco.test (>=5.4)", "packaging", "pyfakefs", "pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-mypy", "pytest-perf (>=0.9.2)", "pytest-ruff (>=0.2.1)"]
+test = ["flufl.flake8", "importlib-resources (>=1.3)", "jaraco.test (>=5.4)", "packaging", "pyfakefs", "pytest (>=6,!=8.1.*)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-mypy", "pytest-perf (>=0.9.2)", "pytest-ruff (>=0.2.1)"]
 
 [[package]]
 name = "importlib-resources"
 version = "6.4.0"
 description = "Read resources from Python packages"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -562,7 +540,6 @@ testing = ["jaraco.test (>=5.4)", "pytest (>=6)", "pytest-checkdocs (>=2.4)", "p
 name = "iniconfig"
 version = "2.0.0"
 description = "brain-dead simple config-ini parsing"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -574,7 +551,6 @@ files = [
 name = "isort"
 version = "5.13.2"
 description = "A Python utility / library to sort Python imports."
-category = "main"
 optional = false
 python-versions = ">=3.8.0"
 files = [
@@ -589,7 +565,6 @@ colors = ["colorama (>=0.4.6)"]
 name = "jinja2"
 version = "3.1.4"
 description = "A very fast and expressive template engine."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -607,7 +582,6 @@ i18n = ["Babel (>=2.7)"]
 name = "joblib"
 version = "1.4.2"
 description = "Lightweight pipelining with Python functions"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -619,7 +593,6 @@ files = [
 name = "kiwisolver"
 version = "1.4.5"
 description = "A fast implementation of the Cassowary constraint solver"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -733,7 +706,6 @@ files = [
 name = "markupsafe"
 version = "2.1.5"
 description = "Safely add untrusted strings to HTML/XML markup."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -803,7 +775,6 @@ files = [
 name = "matplotlib"
 version = "3.9.0"
 description = "Python plotting package"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -857,7 +828,6 @@ dev = ["meson-python (>=0.13.1)", "numpy (>=1.25)", "pybind11 (>=2.6)", "setupto
 name = "mccabe"
 version = "0.7.0"
 description = "McCabe checker, plugin for flake8"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -869,7 +839,6 @@ files = [
 name = "mda-xdrlib"
 version = "0.2.0"
 description = "Stand-alone XDRLIB module (from cpython 3.10.8)"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -884,7 +853,6 @@ testing = ["pytest"]
 name = "mdanalysis"
 version = "2.7.0"
 description = "An object-oriented toolkit to analyze molecular dynamics trajectories."
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -933,7 +901,6 @@ extra-formats = ["chemfiles (>=0.10)", "gsd (>3.0.0)", "h5py (>=2.10)", "netCDF4
 name = "mmtf-python"
 version = "1.1.3"
 description = "A decoding libary for the PDB mmtf format"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -952,7 +919,6 @@ test = ["coverage"]
 name = "mrcfile"
 version = "1.5.0"
 description = "MRC file I/O library"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -967,7 +933,6 @@ numpy = ">=1.16.0"
 name = "msgpack"
 version = "1.0.8"
 description = "MessagePack serializer"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1033,7 +998,6 @@ files = [
 name = "nodeenv"
 version = "1.9.1"
 description = "Node.js virtual environment builder"
-category = "main"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
 files = [
@@ -1045,7 +1009,6 @@ files = [
 name = "numpy"
 version = "1.26.4"
 description = "Fundamental package for array computing in Python"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1091,7 +1054,6 @@ files = [
 name = "packaging"
 version = "24.1"
 description = "Core utilities for Python packages"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1103,7 +1065,6 @@ files = [
 name = "pandas"
 version = "2.2.2"
 description = "Powerful data structures for data analysis, time series, and statistics"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1141,8 +1102,8 @@ files = [
 [package.dependencies]
 numpy = [
     {version = ">=1.22.4", markers = "python_version < \"3.11\""},
-    {version = ">=1.23.2", markers = "python_version == \"3.11\""},
     {version = ">=1.26.0", markers = "python_version >= \"3.12\""},
+    {version = ">=1.23.2", markers = "python_version == \"3.11\""},
 ]
 python-dateutil = ">=2.8.2"
 pytz = ">=2020.1"
@@ -1177,7 +1138,6 @@ xml = ["lxml (>=4.9.2)"]
 name = "pillow"
 version = "10.3.0"
 description = "Python Imaging Library (Fork)"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1264,7 +1224,6 @@ xmp = ["defusedxml"]
 name = "platformdirs"
 version = "4.2.2"
 description = "A small Python package for determining appropriate platform-specific dirs, e.g. a `user data dir`."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1281,7 +1240,6 @@ type = ["mypy (>=1.8)"]
 name = "pluggy"
 version = "1.5.0"
 description = "plugin and hook calling mechanisms for python"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1295,21 +1253,19 @@ testing = ["pytest", "pytest-benchmark"]
 
 [[package]]
 name = "pycodestyle"
-version = "2.11.1"
+version = "2.12.0"
 description = "Python style guide checker"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "pycodestyle-2.11.1-py2.py3-none-any.whl", hash = "sha256:44fe31000b2d866f2e41841b18528a505fbd7fef9017b04eff4e2648a0fadc67"},
-    {file = "pycodestyle-2.11.1.tar.gz", hash = "sha256:41ba0e7afc9752dfb53ced5489e89f8186be00e599e712660695b7a75ff2663f"},
+    {file = "pycodestyle-2.12.0-py2.py3-none-any.whl", hash = "sha256:949a39f6b86c3e1515ba1787c2022131d165a8ad271b11370a8819aa070269e4"},
+    {file = "pycodestyle-2.12.0.tar.gz", hash = "sha256:442f950141b4f43df752dd303511ffded3a04c2b6fb7f65980574f0c31e6e79c"},
 ]
 
 [[package]]
 name = "pydantic"
 version = "2.7.4"
 description = "Data validation using Python type hints"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1329,7 +1285,6 @@ email = ["email-validator (>=2.0.0)"]
 name = "pydantic-core"
 version = "2.18.4"
 description = "Core functionality for Pydantic validation and serialization"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1421,7 +1376,6 @@ typing-extensions = ">=4.6.0,<4.7.0 || >4.7.0"
 name = "pygments"
 version = "2.18.0"
 description = "Pygments is a syntax highlighting package written in Python."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1436,7 +1390,6 @@ windows-terminal = ["colorama (>=0.4.6)"]
 name = "pylint"
 version = "3.2.3"
 description = "python code static checker"
-category = "main"
 optional = false
 python-versions = ">=3.8.0"
 files = [
@@ -1449,8 +1402,8 @@ astroid = ">=3.2.2,<=3.3.0-dev0"
 colorama = {version = ">=0.4.5", markers = "sys_platform == \"win32\""}
 dill = [
     {version = ">=0.2", markers = "python_version < \"3.11\""},
-    {version = ">=0.3.6", markers = "python_version >= \"3.11\""},
     {version = ">=0.3.7", markers = "python_version >= \"3.12\""},
+    {version = ">=0.3.6", markers = "python_version >= \"3.11\" and python_version < \"3.12\""},
 ]
 isort = ">=4.2.5,<5.13.0 || >5.13.0,<6"
 mccabe = ">=0.6,<0.8"
@@ -1467,7 +1420,6 @@ testutils = ["gitpython (>3)"]
 name = "pyparsing"
 version = "3.1.2"
 description = "pyparsing module - Classes and methods to define and execute parsing grammars"
-category = "main"
 optional = false
 python-versions = ">=3.6.8"
 files = [
@@ -1480,14 +1432,13 @@ diagrams = ["jinja2", "railroad-diagrams"]
 
 [[package]]
 name = "pyright"
-version = "1.1.367"
+version = "1.1.368"
 description = "Command line wrapper for pyright"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "pyright-1.1.367-py3-none-any.whl", hash = "sha256:89de6502ae02f1552d0c4df4b46867887a419849f379db617695ef9308cf01eb"},
-    {file = "pyright-1.1.367.tar.gz", hash = "sha256:b1e5522ceb246ee6bc293a43d6d0162719d6467c1f1e9b81cee741aa11cdacbd"},
+    {file = "pyright-1.1.368-py3-none-any.whl", hash = "sha256:4a86e34b61c755b43b367af7fbf927fc6466fff6b81a9dcea07d42416c640af3"},
+    {file = "pyright-1.1.368.tar.gz", hash = "sha256:9b2aa48142d9d9fc9a6aedff743c76873cc4e615f3297cdbf893d5793f75b306"},
 ]
 
 [package.dependencies]
@@ -1501,7 +1452,6 @@ dev = ["twine (>=3.4.1)"]
 name = "pytest"
 version = "8.2.2"
 description = "pytest: simple powerful testing with Python"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1524,7 +1474,6 @@ dev = ["argcomplete", "attrs (>=19.2)", "hypothesis (>=3.56)", "mock", "pygments
 name = "pytest-cov"
 version = "5.0.0"
 description = "Pytest plugin for measuring coverage."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1543,7 +1492,6 @@ testing = ["fields", "hunter", "process-tests", "pytest-xdist", "virtualenv"]
 name = "python-dateutil"
 version = "2.9.0.post0"
 description = "Extensions to the standard Python datetime module"
-category = "main"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,>=2.7"
 files = [
@@ -1558,7 +1506,6 @@ six = ">=1.5"
 name = "pytz"
 version = "2024.1"
 description = "World timezone definitions, modern and historical"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -1570,7 +1517,6 @@ files = [
 name = "rdkit"
 version = "2023.9.6"
 description = "A collection of chemoinformatics and machine-learning software written in C++ and Python"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -1609,7 +1555,6 @@ Pillow = "*"
 name = "requests"
 version = "2.32.3"
 description = "Python HTTP for Humans."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1631,7 +1576,6 @@ use-chardet-on-py3 = ["chardet (>=3.0.2,<6)"]
 name = "scipy"
 version = "1.13.1"
 description = "Fundamental algorithms for scientific computing in Python"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1674,7 +1618,6 @@ test = ["array-api-strict", "asv", "gmpy2", "hypothesis (>=6.30)", "mpmath", "po
 name = "six"
 version = "1.16.0"
 description = "Python 2 and 3 compatibility utilities"
-category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*"
 files = [
@@ -1686,7 +1629,6 @@ files = [
 name = "snowballstemmer"
 version = "2.2.0"
 description = "This package provides 29 stemmers for 28 languages generated from Snowball algorithms."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -1698,7 +1640,6 @@ files = [
 name = "sphinx"
 version = "7.3.7"
 description = "Python documentation generator"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1735,7 +1676,6 @@ test = ["cython (>=3.0)", "defusedxml (>=0.7.1)", "pytest (>=6.0)", "setuptools
 name = "sphinx-rtd-theme"
 version = "2.0.0"
 description = "Read the Docs theme for Sphinx"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -1755,7 +1695,6 @@ dev = ["bump2version", "sphinxcontrib-httpdomain", "transifex-client", "wheel"]
 name = "sphinxcontrib-applehelp"
 version = "1.0.8"
 description = "sphinxcontrib-applehelp is a Sphinx extension which outputs Apple help books"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1772,7 +1711,6 @@ test = ["pytest"]
 name = "sphinxcontrib-devhelp"
 version = "1.0.6"
 description = "sphinxcontrib-devhelp is a sphinx extension which outputs Devhelp documents"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1789,7 +1727,6 @@ test = ["pytest"]
 name = "sphinxcontrib-htmlhelp"
 version = "2.0.5"
 description = "sphinxcontrib-htmlhelp is a sphinx extension which renders HTML help files"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1806,7 +1743,6 @@ test = ["html5lib", "pytest"]
 name = "sphinxcontrib-jquery"
 version = "4.1"
 description = "Extension to include jQuery on newer Sphinx releases"
-category = "main"
 optional = false
 python-versions = ">=2.7"
 files = [
@@ -1821,7 +1757,6 @@ Sphinx = ">=1.8"
 name = "sphinxcontrib-jsmath"
 version = "1.0.1"
 description = "A sphinx extension which renders display math in HTML via JavaScript"
-category = "main"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -1836,7 +1771,6 @@ test = ["flake8", "mypy", "pytest"]
 name = "sphinxcontrib-qthelp"
 version = "1.0.7"
 description = "sphinxcontrib-qthelp is a sphinx extension which outputs QtHelp documents"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1853,7 +1787,6 @@ test = ["pytest"]
 name = "sphinxcontrib-serializinghtml"
 version = "1.1.10"
 description = "sphinxcontrib-serializinghtml is a sphinx extension which outputs \"serialized\" HTML files (json and pickle)"
-category = "main"
 optional = false
 python-versions = ">=3.9"
 files = [
@@ -1870,7 +1803,6 @@ test = ["pytest"]
 name = "threadpoolctl"
 version = "3.5.0"
 description = "threadpoolctl"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1882,7 +1814,6 @@ files = [
 name = "tomli"
 version = "2.0.1"
 description = "A lil' TOML parser"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -1894,7 +1825,6 @@ files = [
 name = "tomlkit"
 version = "0.12.5"
 description = "Style preserving TOML library"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -1906,7 +1836,6 @@ files = [
 name = "tqdm"
 version = "4.66.4"
 description = "Fast, Extensible Progress Meter"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -1927,7 +1856,6 @@ telegram = ["requests"]
 name = "typing-extensions"
 version = "4.12.2"
 description = "Backported and Experimental Type Hints for Python 3.8+"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1939,7 +1867,6 @@ files = [
 name = "tzdata"
 version = "2024.1"
 description = "Provider of IANA time zone data"
-category = "main"
 optional = false
 python-versions = ">=2"
 files = [
@@ -1949,14 +1876,13 @@ files = [
 
 [[package]]
 name = "urllib3"
-version = "2.2.1"
+version = "2.2.2"
 description = "HTTP library with thread-safe connection pooling, file post, and more."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "urllib3-2.2.1-py3-none-any.whl", hash = "sha256:450b20ec296a467077128bff42b73080516e71b56ff59a60a02bef2232c4fa9d"},
-    {file = "urllib3-2.2.1.tar.gz", hash = "sha256:d0570876c61ab9e520d776c38acbbb5b05a776d3f9ff98a5c8fd5162a444cf19"},
+    {file = "urllib3-2.2.2-py3-none-any.whl", hash = "sha256:a448b2f64d686155468037e1ace9f2d2199776e17f0a46610480d311f73e3472"},
+    {file = "urllib3-2.2.2.tar.gz", hash = "sha256:dd505485549a7a552833da5e6063639d0d177c04f23bc3864e41e5dc5f612168"},
 ]
 
 [package.extras]
@@ -1969,7 +1895,6 @@ zstd = ["zstandard (>=0.18.0)"]
 name = "zipp"
 version = "3.19.2"
 description = "Backport of pathlib-compatible object wrapper for zip files"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1983,5 +1908,5 @@ test = ["big-O", "importlib-resources", "jaraco.functools", "jaraco.itertools",
 
 [metadata]
 lock-version = "2.0"
-python-versions = ">3.9 <=3.12"
-content-hash = "de4abc3590ee6ed5010ba427f60d81657133ea3e48275e48370cc40f47d8bc64"
+python-versions = "^3.9"
+content-hash = "d5c6b0f166570820a27ebe0b2aa6690a12f291f5d7602522751e4f911bacbc7e"
diff --git a/pyproject.toml b/pyproject.toml
index a6b1dde..d4a1b93 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -7,7 +7,7 @@ license = "GPL-3.0"
 readme = "README.md"
 
 [tool.poetry.dependencies]
-python = ">3.9 <=3.12"
+python = "^3.9"
 #numpy = "1.26.1"
 mdanalysis = "^2.7"
 click = "^8.1.7"