# Python package requirements for complete build, installation, and testing of # gmxapi functionality. cmake>=3.9.6 flake8>=3.7.7 networkx>=2.0 pip>=10.1 setuptools>=28.0.0 scikit-build>=0.7 # The following packages are not strictly necessary, but allow full documentation # builds and testing. mpi4py>=2 numpy>=1 pytest>=3.9