# This script is executed via the line: # source devtools/ci/jenkins/install.sh # in a bash shell with the -lex options turned on echo "Using the following SWIG (`which swig`) version:" swig -version echo "Using cmake (`which cmake`) version": cmake --version echo "Using g++ (`which g++`) version:" g++ --version module load cuda/9.0 # Constants CONDAENV=openmm-test-3.5 INSTALL_DIRECTORY="`pwd`/install" export OPENMM_CUDA_COMPILER=`which nvcc` # Create a conda environment, but clean up after one first. If it doesn't exist, don't complain. # But since we are invoking this shell with -e (exit on all errors), we need || true to prevent this # command from crashing the whole shell create_conda_env() { conda create -yn ${CONDAENV} python=3.5 --no-default-packages --quiet } conda remove -yn ${CONDAENV} --all --quiet || true create_conda_env || create_conda_env # Crappy way to work around conda concurrency restrictions conda install -yn ${CONDAENV} numpy scipy pytest --quiet source activate ${CONDAENV} # enter our new environment # Build OpenMM cmake -DCMAKE_INSTALL_PREFIX="${INSTALL_DIRECTORY}" -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc . make -j6 install make PythonInstall # Now run the tests python -m simtk.testInstallation cd python/tests && py.test -v && cd ../.. python devtools/run-ctest.py --job-duration=120 --timeout 300 # Now remove the conda environment source deactivate conda remove -yn ${CONDAENV} --all --quiet