cmake ftn okeanos cray XC40 correction
[unres.git] / source / unres / src_MD-M-SAXS-homology / CMakeLists.txt
index 0d88ba2..96c0eb3 100644 (file)
@@ -187,6 +187,9 @@ elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
 elseif (Fortran_COMPILER_NAME STREQUAL "pgf90")
   set(FFLAGS0 "-mcmodel=medium -Mlarge_arrays -I. " )
   set(FFLAGS3 "-mcmodel=medium -Mlarge_arrays -I. " )
+elseif (Fortran_COMPILER_NAME STREQUAL "ftn")
+  set(FFLAGS0 "-ip -w -mcmodel=medium -shared-intel" ) 
+  set(FFLAGS3 "-ip -w -mcmodel=medium -shared-intel" )
 else ()
   set(FFLAGS0 "-I. -mcmodel=medium" )
   set(FFLAGS3 "-I. -mcmodel=medium" )
@@ -195,10 +198,12 @@ endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 # Add MPI compiler flags
 if(UNRES_WITH_MPI)
+ if (NOT MPI_Fortran_INCLUDE_PATH STREQUAL "")
   set(FFLAGS0 "${FFLAGS0} -I${MPI_Fortran_INCLUDE_PATH}")
 #  set(FFLAGS1 "${FFLAGS1} -I${MPI_Fortran_INCLUDE_PATH}")
 #  set(FFLAGS2 "${FFLAGS2} -I${MPI_Fortran_INCLUDE_PATH}")
   set(FFLAGS3 "${FFLAGS3} -I${MPI_Fortran_INCLUDE_PATH}")
+ endif ()
 endif(UNRES_WITH_MPI)
 
 set_property(SOURCE ${UNRES_MDM_SRC0} APPEND PROPERTY COMPILE_FLAGS ${FFLAGS0} )
@@ -1043,8 +1048,14 @@ FILE(    COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_E0LL2Y.sh
 
 if(UNRES_DFA)
 
-FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa
-        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa/
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa FILES_MATCHING PATTERN "*.sco" )
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa/
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa FILES_MATCHING PATTERN "*.pdb" )
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa/
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa FILES_MATCHING PATTERN "*.dat" )
 
 FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/checkgrad.awk
         DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa )
@@ -1058,7 +1069,7 @@ FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/prota_unres_energy_check_mult.sh
 )
 
 FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa_newcorr/
-        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa/ FILES_MATCHING PATTERN "*" )
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa FILES_MATCHING PATTERN "*" )
 
 endif(UNRES_DFA)
 endif(UNRES_MD_FF STREQUAL "NEWCORR")