Added OpenMM/ HHblits

.gitlab-ci.yml

@@ -100,13 +100,19 @@ test:centos7.3:
     - module load PyQt/4.11.4-goolf-1.7.20-Python-2.7.11
     - module load LibTIFF/.4.0.4-goolf-1.7.20
     - module load Perl/5.22.2-goolf-1.7.20
+    - module load HH-suite/2.0.16-goolf-1.7.20-Boost-1.53.0-Python-2.7.11
+    - module load OpenMM/6.1-goolf-1.7.20-Python-2.7.11
     - echo "... done running centos7.3 'before_script'."
   script:
   - echo "Testing on CentOS 7..."
   - echo "    Building OST..."
   - mkdir build-ci
   - cd build-ci
-  - cmake .. -DCOMPILE_TMTOOLS=1
+  - cmake .. -DENABLE_MM=1
+             -DOPEN_MM_LIBRARY=$EBROOTOPENMM/lib/libOpenMM.so
+             -DOPEN_MM_PLUGIN_DIR=$EBROOTOPENMM/lib/plugins
+             -DOPEN_MM_INCLUDE_DIR=$EBROOTOPENMM/include
+             -DCOMPILE_TMTOOLS=1
              -DENABLE_GFX=OFF
              -DENABLE_GUI=OFF
              -DUSE_NUMPY=1