projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
fixed binary names for cmake and make
[unres.git] / source / unres / src_MIN / CMakeLists.txt
diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
index a6c2db0..6138673 100644 (file)
--- a/source/unres/src_MIN/CMakeLists.txt
+++ b/source/unres/src_MIN/CMakeLists.txt
@@ -7,6 +7,7 @@ enable_language (Fortran)
 #================================
 # Set source file lists
 #================================
+# sources used with FFLAGS0
 set(UNRES_MIN_SRC0 
        arcos.f
        cartder.F 
@@ -14,8 +15,10 @@ set(UNRES_MIN_SRC0
        chainbuild.F 
        checkder_p.F 
        convert.f 
+       djacob.f
        econstr_local.F
-       geomout_min.F
+       gen_rand_conf.F
+       geomout_min.F
        initialize_p.F 
        intcartderiv.F
        intcor.f 
@@ -31,26 +34,31 @@ set(UNRES_MIN_SRC0
        randgens.f 
        readrtns_min.F
        rescode.f 
+       refsys.f
        rmdd.f 
+       sc_move.F
        sumsld.f 
        timing.F
        unres_min.F
 
 )
-
+# sources used with FFLAGS1
 set(UNRES_MIN_SRC1 
        cored.f
 )
 
+# sources used with FFLAGS2
 set(UNRES_MIN_SRC2 
        readpdb.F
 )
 
+# sources used with FFLAGS3
 set(UNRES_MIN_SRC3 
        energy_p_new_barrier.F
        gradient_p.F
 )
 
+# sources used with preprocesor flags (should also be listed above with FFLAGSX)
 set(UNRES_MIN_PP_SRC
        bank.F 
        cartder.F 
@@ -118,10 +126,10 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set(FFLAGS2 "-w -g -00 ")
   set(FFLAGS3 "-g -w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-O" ) 
-  set(FFLAGS1 "-g -C" ) 
-  set(FFLAGS2 "-g -O0 ")
-  set(FFLAGS3 "-O3" )
+  set(FFLAGS0 "-std=legacy -O " ) 
+  set(FFLAGS1 "-std=legacy -g -C" ) 
+  set(FFLAGS2 "-std=legacy -g -O0 ")
+  set(FFLAGS3 "-std=legacy -O3" )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -131,7 +139,7 @@ set_property(SOURCE ${UNRES_MIN_SRC2} PROPERTY COMPILE_FLAGS ${FFLAGS2} )
 set_property(SOURCE ${UNRES_MIM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
 
 # set preprocesor flags   
-set(CPPFLAGS "PROCOR -DLINUX -DISNAN -DSPLITELE -DLANG0" )
+set(CPPFLAGS "PROCOR -DLINUX -DISNAN -DSPLITELE -DLANG0 -DSCCORPDB" )
 
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   # Add ifort preprocessor flags
@@ -158,7 +166,7 @@ set_property(SOURCE ${UNRES_MIN_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 #  Setting binary name
 #========================================
-set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
+set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MIN_single_${UNRES_MD_FF}.exe")
 
 #========================================
 #  cinfo.f workaround for Cmake
@@ -166,22 +174,29 @@ set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
 # get the current date  
 TODAY(DATE)
 # generate cinfo.f
-FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+
+set(CINFO "${CMAKE_CURRENT_BINARY_DIR}/cinfo.f")
+FILE(WRITE ${CINFO}
 "C CMake generated file
        subroutine cinfo
        include 'COMMON.IOUNITS'
        write(iout,*)'++++ Compile info ++++'
        write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
-       write(iout,*)'Compiled ${DATE}'
-       write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
-       write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
-       write(iout,*)'OS release: ${CMAKE_SYSTEM}'
-       write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
-       write(iout,*)'Version MINI energy and minimization only'
-       write(iout,*)'++++ End of compile info ++++'  
-       return  
-       end     
 ")
+
+CINFO_FORMAT(${CINFO} "Compiled" "${DATE}" )
+CINFO_FORMAT(${CINFO} "Compiled by" "$ENV{USER}@$ENV{HOST}" )
+CINFO_FORMAT(${CINFO} "OS name:" "${CMAKE_SYSTEM_NAME}" )
+CINFO_FORMAT(${CINFO} "OS release:" "${CMAKE_SYSTEM}" )
+CINFO_FORMAT(${CINFO} "Fortran Compiler:" "${CMAKE_Fortran_COMPILER}" )
+CINFO_FORMAT(${CINFO} "CPPFLAGS =" "${CPPFLAGS}")
+
+FILE(APPEND ${CINFO} 
+"       write(iout,*)'Version MINI energy and minimalization only'
+       write(iout,*)'++++ End of compile info ++++'  
+       return 
+       end ")
+
 # add include path
 set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}")
 
@@ -193,41 +208,17 @@ set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES
 #=========================================
 # Build the binary
 #=========================================
-add_executable(UNRES_BIN-MIN ${UNRES_MIN_SRCS} )
-set_target_properties(UNRES_BIN-MIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
+add_executable(UNRES_MIN_BIN ${UNRES_MIN_SRCS} )
+set_target_properties(UNRES_MIN_BIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
 
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  target_link_libraries (UNRES_BIN-MIN ${CMAKE_THREAD_LIBS_INIT})
+  target_link_libraries (UNRES_MIN_BIN ${CMAKE_THREAD_LIBS_INIT})
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+set_property(TARGET UNRES_MIN_BIN PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 
-#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
 
 #=========================================
-# TESTS 
-#=========================================
-
-#-- Copy all the data files from the test directory into the source directory
-#SET(UNRES_TEST_FILES
-#      ala10.inp
-#    )
-
-#FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
-#      SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
-#      MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
-#      ADD_CUSTOM_COMMAND (
-#          TARGET     ${UNRES_BIN}
-#          POST_BUILD
-#          COMMAND    ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
-#      )
-#ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
-
+# Install Path
 #=========================================
-# Generate data test files
-#=========================================
-
-#if(NOT UNRES_WITH_MPI)
-
-#  add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
+install(TARGETS UNRES_MIN_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/MINIM)
 
-#endif(NOT UNRES_WITH_MPI)
- 
UNRESPACK 3.x