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# Requirements for build, installation and testing are provided for convenient
# use of `pip install -r requirements.txt`. To get a complete list of required
# packages, such as for completely offline installation, install these packages
# in an empty Python virtual environment and use `pip list` or `pip freeze` to
# see the actual packages installed, including dependencies, with version info.
#
# Note that, ordinarily, build requirements are discovered from pyproject.toml,
# and run time package dependencies (to be checked during installation) are
# resolved by setuptools from the `install_requires` in `setup.cfg`.
cmake>=3.28
importlib_metadata;python_version<"3.8"
networkx>=2.0
numpy>1.7
packaging
pip>=10.1
pybind11>=2.12
setuptools>=42
wheel
# The following packages are not strictly necessary, but allow documentation builds.
furo
Pygments>=2.2.0
Sphinx>=4
sphinx-copybutton
sphinx_inline_tabs
sphinxcontrib-plantuml>=0.14
# Python package requirements for complete testing of gmxapi functionality.
build
flake8>=3.7.7
mpi4py>=3.0.3
pytest>=4.6
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