cluster unres

[unres.git] / source / cluster / unres / src / CMakeLists.txt

diff --git a/source/cluster/unres/src/CMakeLists.txt b/source/cluster/unres/src/CMakeLists.txt
index 26a6b4d..c26fe29 100644 (file)
--- a/source/cluster/unres/src/CMakeLists.txt
+++ b/source/cluster/unres/src/CMakeLists.txt
@@ -18,7 +18,7 @@ set(UNRES_CLUSTER_UNRES_SRC0
        hc.f
        initialize.f
        intcor.f
-       main_clust.f
+       main_clust.F
        matmult.f
        misc.f
        noyes.f
@@ -30,6 +30,7 @@ set(UNRES_CLUSTER_UNRES_SRC0
        timing.F
        track.F
        wrtclust.f
+       cxread.F
 )
 
 set(UNRES_CLUSTER_PP_SRC
@@ -56,8 +57,9 @@ set_property(SOURCE ${UNRES_CLUSTER_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
 #=========================================
 # System specific flags
 #=========================================
+set(CPPFLAGS "NEWUNRES")
 if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
-  set(CPPFLAGS "${CPPFLAGS} LINUX") 
+  set(CPPFLAGS "${CPPFLAGS} -DLINUX") 
 endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
 
 
@@ -71,7 +73,7 @@ set_property(SOURCE ${UNRES_CLUSTER_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFL
 #========================================
 #  Setting binary name
 #========================================
-set(UNRES_CLUSTER_BIN "cluster_unres_${Fortran_COMPILER_NAME}_${UNRES_MD_FF}.exe")
+set(UNRES_CLUSTER_BIN "cluster_unres_${Fortran_COMPILER_NAME}.exe")
 
 #=========================================
 # Set full unres CLUSTER sources
@@ -85,9 +87,57 @@ add_executable(UNRES_CLUSTER_BIN ${UNRES_CLUSTER_SRCS} )
 set_target_properties(UNRES_CLUSTER_BIN PROPERTIES OUTPUT_NAME ${UNRES_CLUSTER_BIN})
 set_property(TARGET UNRES_CLUSTER_BIN PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 
+#=========================================
+# Link libraries
+#=========================================
+# link libxdrf.a 
+target_link_libraries( UNRES_CLUSTER_BIN xdrf )
+
 
 #=========================================
 # Install Path
 #=========================================
 install(TARGETS UNRES_CLUSTER_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/cluster)
 
+
+#=========================================
+# TESTS 
+#=========================================
+
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_int.sh
+"#!/bin/sh
+export INPUT=$1
+export INTIN=1l2y_csa_GB000
+export OUTPUT=1l2y_csa_GB000
+#-----------------------------------------------------------------------------
+CLUSTER_BIN=${CMAKE_BINARY_DIR}/bin/${UNRES_CLUSTER_BIN}
+#-----------------------------------------------------------------------------
+echo CTEST_FULL_OUTPUT
+$CLUSTER_BIN 
+./cluster_check.sh $1 
+")
+
+#
+# File permissions workaround
+#
+FILE(  COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_int.sh 
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR}
+       FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
+)
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/cluster_check.sh
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} 
+        FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
+)
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1l2y_clust_int.inp
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1l2y_csa_GB000.int
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y.pdb
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+
+add_test(NAME CLUSTER_INT COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/cluster_int.sh 1l2y_clust_int )