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Commit cfe7f18f authored by Rafal Gumienny's avatar Rafal Gumienny
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fix: Export OPENMM_LIB_PATH

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