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[unres.git]
/
source
/
unres
/
src_CSA
/
CMakeLists.txt
diff --git
a/source/unres/src_CSA/CMakeLists.txt
b/source/unres/src_CSA/CMakeLists.txt
index
c48ae1e
..
a3d3569
100644
(file)
--- a/
source/unres/src_CSA/CMakeLists.txt
+++ b/
source/unres/src_CSA/CMakeLists.txt
@@
-18,7
+18,7
@@
set(UNRES_CSA_SRC0
contact.f
convert.f
cored.f
contact.f
convert.f
cored.f
- csa.f
+ csa.F
dfa.F
diff12.f
distfit.f
dfa.F
diff12.f
distfit.f
@@
-52,6
+52,7
@@
set(UNRES_CSA_SRC0
ran.f
readpdb.F
readrtns_csa.F
ran.f
readpdb.F
readrtns_csa.F
+ refsys.f
rescode.f
rmdd.f
rmsd.F
rescode.f
rmdd.f
rmsd.F
@@
-72,6
+73,7
@@
set(UNRES_CSA_PP_SRC
cartder.F
chainbuild.F
checkder_p.F
cartder.F
chainbuild.F
checkder_p.F
+ csa.F
dfa.F
econstr_local.F
energy_p_new_barrier.F
dfa.F
econstr_local.F
energy_p_new_barrier.F
@@
-118,10
+120,10
@@
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
# Add MPI compiler flags
if(UNRES_WITH_MPI)
# Add MPI compiler flags
if(UNRES_WITH_MPI)
- set(FFLAGS0 "${FFLAGS0} -I${MPIF_INCLUDE_DIRECTORIES}")
- set(FFLAGS1 "${FFLAGS1} -I${MPIF_INCLUDE_DIRECTORIES}")
- set(FFLAGS2 "${FFLAGS2} -I${MPIF_INCLUDE_DIRECTORIES}")
- set(FFLAGS3 "${FFLAGS3} -I${MPIF_INCLUDE_DIRECTORIES}")
+ 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(UNRES_WITH_MPI)
set_property(SOURCE ${UNRES_CSA_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
endif(UNRES_WITH_MPI)
set_property(SOURCE ${UNRES_CSA_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
@@
-134,19
+136,19
@@
set_property(SOURCE ${UNRES_CSA_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
#=========================================
if(UNRES_CSA_FF STREQUAL "CASP3" )
#=========================================
if(UNRES_CSA_FF STREQUAL "CASP3" )
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_TOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DMOMENT" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCRYST_TOR" )
elseif(UNRES_CSA_FF STREQUAL "ALPHA")
elseif(UNRES_CSA_FF STREQUAL "ALPHA")
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
elseif(UNRES_CSA_FF STREQUAL "BETA")
elseif(UNRES_CSA_FF STREQUAL "BETA")
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
elseif(UNRES_CSA_FF STREQUAL "ALPHABETA")
elseif(UNRES_CSA_FF STREQUAL "ALPHABETA")
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
elseif(UNRES_CSA_FF STREQUAL "CASP5")
elseif(UNRES_CSA_FF STREQUAL "CASP5")
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DMOMENT -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
elseif(UNRES_CSA_FF STREQUAL "3P")
elseif(UNRES_CSA_FF STREQUAL "3P")
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
elseif(UNRES_CSA_FF STREQUAL "4P")
elseif(UNRES_CSA_FF STREQUAL "4P")
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+ set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
endif(UNRES_CSA_FF STREQUAL "CASP3")
#=========================================
endif(UNRES_CSA_FF STREQUAL "CASP3")
#=========================================
@@
-176,6
+178,13
@@
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
#=========================================
set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI")
#=========================================
set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI")
+#=========================================
+# add 64-bit specific preprocessor flags
+#=========================================
+if (architektura STREQUAL "64")
+ set(CPPFLAGS "${CPPFLAGS} -DAMD64")
+endif (architektura STREQUAL "64")
+
# Apply preprocesor flags to *.F files
set_property(SOURCE ${UNRES_CSA_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )
# Apply preprocesor flags to *.F files
set_property(SOURCE ${UNRES_CSA_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )
@@
-227,19
+236,24
@@
set(UNRES_CSA_SRCS ${UNRES_CSA_SRC0} ${UNRES_CSA_SRC3} ${CMAKE_CURRENT_BINARY_DI
#=========================================
add_executable(UNRES_BIN-CSA ${UNRES_CSA_SRCS} )
set_target_properties(UNRES_BIN-CSA PROPERTIES OUTPUT_NAME ${UNRES_BIN})
#=========================================
add_executable(UNRES_BIN-CSA ${UNRES_CSA_SRCS} )
set_target_properties(UNRES_BIN-CSA PROPERTIES OUTPUT_NAME ${UNRES_BIN})
-
-#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
+set_property(TARGET UNRES_BIN-CSA PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
#add_dependencies (${UNRES_BIN} ${UNRES_XDRFLIB})
#=========================================
# Link libraries
#=========================================
# link MPI library (libmpich.a)
#add_dependencies (${UNRES_BIN} ${UNRES_XDRFLIB})
#=========================================
# Link libraries
#=========================================
# link MPI library (libmpich.a)
-target_link_libraries( UNRES_BIN-CSA ${MPIF_LIBRARIES} )
+target_link_libraries( UNRES_BIN-CSA ${MPI_Fortran_LIBRARIES} )
# link libxdrf.a
#target_link_libraries( ${UNRES_BIN} xdrf )
#=========================================
# link libxdrf.a
#target_link_libraries( ${UNRES_BIN} xdrf )
#=========================================
+# Install Path
+#=========================================
+install(TARGETS UNRES_BIN-CSA DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/CSA)
+
+
+#=========================================
# TESTS
#=========================================
# TESTS
#=========================================