2 # Entry point script for Docker containers.
3 # Additional arguments are passed along to pytest.
4 # See README.md and the gmxapi/ci-<option> Docker images.
6 # TODO: (#2756) Centrally manage dependencies on the GROMACS installation.
7 # The gmxapi package, virtualenv, or test infrastructure should have an
8 # internal mechanism for tracking the correct GROMACS installation.
9 source /usr/local/gromacs/bin/GMXRC