python_packaging/sample_restraint/ci_scripts/pygmx_0_0_7.sh

   1 #!/bin/bash
   2 set -ev
   3
   4 pushd $HOME
   5  [ -d gmxapi ] || git clone --depth=1 --no-single-branch https://github.com/kassonlab/gmxapi.git
   6  pushd gmxapi
   7   git checkout release-0_0_7
   8   rm -rf build
   9   mkdir -p build
  10   pushd build
  11    cmake .. -DCMAKE_CXX_COMPILER=$CXX -DCMAKE_C_COMPILER=$CC -DPYTHON_EXECUTABLE=$PYTHON
  12    make -j2 install
  13   popd
  14  popd
  15  mpiexec -n 2 $PYTHON -m mpi4py -m pytest --log-cli-level=WARN --pyargs gmx -s
  16 # mpiexec -n 2 $PYTHON -m mpi4py -m pytest --log-cli-level=DEBUG --pyargs gmx -s --verbose
  17  ccache -s
  18 popd