hc.f
initialize.f
intcor.f
- main_clust.f
+ main_clust.F
matmult.f
misc.f
noyes.f
timing.F
track.F
wrtclust.f
+ cxread.F
)
set(UNRES_CLUSTER_PP_SRC
#=========================================
# 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")
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})
+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 )