From cfe7f18fdbfc4409ccf3e3d55753f94256cfb2c8 Mon Sep 17 00:00:00 2001
From: Rafal Gumienny <guma44@gmail.com>
Date: Wed, 26 Sep 2018 10:31:49 +0200
Subject: [PATCH] fix: Export OPENMM_LIB_PATH
---
singularity/Singularity.1.8.0 | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/singularity/Singularity.1.8.0 b/singularity/Singularity.1.8.0
index 5a1e2600f..fcc150b6e 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"
--
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