diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml index 13f9ff0..298dd9d 100644 --- a/.github/workflows/tests.yaml +++ b/.github/workflows/tests.yaml @@ -8,10 +8,10 @@ jobs: name: Style, mypy, pytest steps: - uses: actions/checkout@v3 - - name: Set up Python 3.7 + - name: Set up Python 3.10 uses: actions/setup-python@v3 with: - python-version: 3.7 + python-version: "3.10" - name: Install Dependencies run: pip install -e .[dev,rdkit] - name: Check black diff --git a/README.md b/README.md index eed4aef..94d26b5 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ This repository contains various chemistry-related Python utilities used in the RXN universe. For general utilities not related to chemistry, see our other repository [`rxn-utilities`](https://github.com/rxn4chemistry/rxn-utilities). -The documentation can be found [here](https://rxn4chemistry.github.io/rxn-chemutils/). +The code is available on GitHub ([link](https://github.com/rxn4chemistry/rxn-chemutils)) and the documentation can be found [here](https://rxn4chemistry.github.io/rxn-chemutils/). ## System Requirements @@ -14,7 +14,7 @@ It has been tested on the following systems: + macOS: Big Sur (11.1) + Linux: Ubuntu 18.04.4 -A Python version of 3.6 or greater is recommended. +A Python version of 3.7 or greater is recommended. ## Installation guide @@ -35,6 +35,4 @@ conda install -c conda-forge rdkit # Install RDKit from Pypi pip install rdkit -# for Python<3.7 -# pip install rdkit-pypi ``` diff --git a/setup.cfg b/setup.cfg index 9bffb32..6bba93c 100644 --- a/setup.cfg +++ b/setup.cfg @@ -10,18 +10,22 @@ long_description_content_type = text/markdown classifiers = Operating System :: OS Independent Programming Language :: Python :: 3 - Programming Language :: Python :: 3.6 + Programming Language :: Python :: 3.7 + Programming Language :: Python :: 3.8 + Programming Language :: Python :: 3.9 + Programming Language :: Python :: 3.10 + Programming Language :: Python :: 3.11 [options] package_dir = = src packages = find_namespace: -python_requires = >= 3.6 +python_requires = >= 3.7 zip_safe = False include_package_data = True install_requires = attrs>=21.2.0 - click>=7.0,<8.1.4 + click>=7.0 rxn-utils>=1.1.9 [options.packages.find] @@ -41,11 +45,7 @@ dev = pytest>=5.3.4 types-setuptools>=57.4.17 rdkit = - # install RDKit. This is not as a setup dependency in order not to install it - # in downstream packages and avoid potential conflicts with the conda - # installation of RDKit - rdkit-pypi>=2021.3.2 ; python_version<"3.7" - rdkit>=2022.3.4 ; python_version>="3.7" + rdkit>=2022.3.4 [options.entry_points] console_scripts =