1 .gmxapi-extra-installs:
3 EXTRA_INSTALLS: python3-dev python3-networkx python3-setuptools python3-mpi4py python3-numpy python3-pip python3-pytest
6 .configure-gmxapi-template:
8 - .gmxapi-extra-installs
10 CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=ON"