Update packaging scripts for jchodera/omnia-build-box:cuda80-amd30 docker image

devtools/packaging/scripts/linux/build-gcc.sh

@@ -16,21 +16,32 @@ fi
 
 CMAKE_FLAGS="-DCMAKE_INSTALL_PREFIX=$INSTALL"
 
+# Don't build tests
+CMAKE_FLAGS+=" -DBUILD_TESTING=OFF"
+
+# Ensure we build a release
+CMAKE_FLAGS+=" -DCMAKE_BUILD_TYPE=Release"
+
 # setting the rpath so that libOpenMMPME.so finds the right libfftw3
 #CMAKE_FLAGS+=" -DCMAKE_INSTALL_RPATH=.."
+# Use NVIDIA CUDA 8.0
 CMAKE_FLAGS+=" -DCUDA_CUDART_LIBRARY=/usr/local/cuda-8.0/lib64/libcudart.so"
 CMAKE_FLAGS+=" -DCUDA_NVCC_EXECUTABLE=/usr/local/cuda-8.0/bin/nvcc"
 CMAKE_FLAGS+=" -DCUDA_SDK_ROOT_DIR=/usr/local/cuda-8.0/"
 CMAKE_FLAGS+=" -DCUDA_TOOLKIT_INCLUDE=/usr/local/cuda-8.0/include"
 CMAKE_FLAGS+=" -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-8.0/"
+# Use AMD APP SDK 3.0
 CMAKE_FLAGS+=" -DOPENCL_INCLUDE_DIR=/opt/AMDAPPSDK-3.0/include/"
 CMAKE_FLAGS+=" -DOPENCL_LIBRARY=/opt/AMDAPPSDK-3.0/lib/x86_64/libOpenCL.so"
+# Generate API docs
 CMAKE_FLAGS+=" -DOPENMM_GENERATE_API_DOCS=ON"
 # Set location for FFTW3
 PREFIX="$WORKSPACE/miniconda"
 CMAKE_FLAGS+=" -DFFTW_INCLUDES=$PREFIX/include"
 CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.so"
 CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.so"
+# Necessary to find GL headers
+CMAKE_FLAGS+=" -DCMAKE_CXX_FLAGS_RELEASE=-I/usr/include/nvidia/"
 
 # Build in subdirectory.
 if [ -e build ]; then

devtools/packaging/scripts/linux/prepare.sh

@@ -24,6 +24,9 @@ fi
 # Add to path.
 export PATH=$WORKSPACE/miniconda/bin:$PATH
 
+# Workaround for missing libgcrypt
+yum install -y libgcrypt
+
 # Ensure configuration is up to date.
 conda config --add channels omnia
 conda install --yes --quiet swig fftw3f pip doxygen sphinx sphinxcontrib-bibtex sphinxcontrib-lunrsearch sphinxcontrib-autodoc_doxygen lxml cmake