mtzgroup/terachem-compilation-environment-experimental repository overview

Old tags might miss a recent bugfix with new docker versions (using DOCKER_BUILDKIT=1 by default) and cuda compilation during docker build. The problem is: at docker build time, the nvidia driver was not mounted, so libcuda.so is not in /usr/lib/ or /usr/lib64/, so at link stage you'll get "lc: cannot find -lcuda". The fix is to put /usr/local/cuda/lib64/stubs/ into LIBRARY_PATH and LD_LIBRARY_PATH, so the linker can find libcuda.so from cuda compiler.

In order to run compilation on those old tags, add these ENVs to your image:

ENV LIBRARY_PATH="/usr/local/cuda/lib64/stubs/:$LIBRARY_PATH"
ENV LD_LIBRARY_PATH="/usr/local/cuda/lib64/stubs/:$LD_LIBRARY_PATH"