diff --git a/singularity/Singularity.1.8.0 b/singularity/Singularity.1.8.0 index 5a1e2600f40eecf259152800311d4686f124bed0..fcc150b6ee89538b393b7248659cde761c8c25e2 100644 --- a/singularity/Singularity.1.8.0 +++ b/singularity/Singularity.1.8.0 @@ -224,8 +224,9 @@ cd /home ############################################################################## export OST_ROOT="/usr/local" export OPENSTRUCTURE_VERSION="1.8.0" +export OPENMM_LIB_PATH=/usr/local/openmm/lib/ export PYTHONPATH="/usr/local/lib64/python2.7/site-packages:${PYTHONPATH}" -export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib64" +export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib64:${OPENMM_LIB_PATH}" export QT_X11_NO_MITSHM=1 export IPYTHONDIR="/usr/local/share/ipython" export JUPYTER_CONFIG_DIR="/usr/local/etc/jupyter"