# Python package requirements for complete build, installation, and testing of # gmxapi functionality. cmake>=3.16.3 flake8>=3.7.7 networkx>=2.0 numpy>=1 pip>=10.1 scikit-build>=0.10 setuptools>=42 wheel # The following packages are not strictly necessary, but allow full testing. mpi4py>=3.0.3 pytest>=3.9