admin/ci-templates/.build-gmxapi-template.yml

   1 .gmxapi-extra-installs:
   2   variables:
   3     EXTRA_INSTALLS: python3-dev python3-networkx python3-setuptools python3-mpi4py python3-numpy python3-pip python3-pytest
   4
   5
   6 .configure-gmxapi-template:
   7   extends:
   8     - .gmxapi-extra-installs
   9   variables:
  10     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=ON"
  11