#================================
# build the xdrf library
#================================
-add_subdirectory(xdrf)
+#add_subdirectory(xdrf)
#================================
# Set source file lists
permut.F
pinorm.f
printmat.f
- prng_32.F
q_measure.F
ran.f
randgens.f
unres.F
)
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+ set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng.f )
+else()
+ set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng_32.F )
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F )
set(UNRES_MDM_PP_SRC
newconf.f
parmread.F
permut.F
- prng_32.F
q_measure1.F
q_measure3.F
q_measure.F
)
+if(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
+ set(UNRES_MDM_PP_SRC "${UNRES_MDM_PP_SRC} prng_32.F")
+endif(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
#================================================
# Set comipiler flags for different sourcefiles
#================================================
#=========================================
# Settings for GAB force field
#=========================================
-if(UNRES_FF STREQUAL "GAB" )
+if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
- set(CPPFLAGS "PROCOR -DLINUX -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
-
- if (Fortran_COMPILER_NAME STREQUAL "ifort")
- # Add ifort preprocessor flags
- set(CPPFLAGS "${CPPFLAGS} -DPGI")
- elseif (Fortran_COMPILER_NAME STREQUAL "f95")
- # Add gfortran flags
- set(CPPFLAGS "${CPPFLAGS} -DG77")
- elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
- # Add gfortran flags
- set(CPPFLAGS "${CPPFLAGS} -DG77")
- endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+ set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
#=========================================
# Settings for E0LL2Y force field
#=========================================
-elseif(UNRES_FF STREQUAL "E0LL2Y")
+elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
- set(CPPFLAGS "PROCOR -DLINUX -DUNRES -DISNAN -DSPLITELE -DLANG0" )
+ set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0" )
+endif(UNRES_MD_FF STREQUAL "GAB")
- if (Fortran_COMPILER_NAME STREQUAL "ifort")
- # Add ifort preprocessor flags
- set(CPPFLAGS "${CPPFLAGS} -DPGI")
- endif (Fortran_COMPILER_NAME STREQUAL "ifort")
-endif(UNRES_FF STREQUAL "GAB")
+#=========================================
+# System specific flags
+#=========================================
+if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+ set(CPPFLAGS "${CPPFLAGS} -DLINUX")
+endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+
+#=========================================
+# Compiler specific flags
+#=========================================
+
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+ # Add ifort preprocessor flags
+ set(CPPFLAGS "${CPPFLAGS} -DPGI")
+elseif (Fortran_COMPILER_NAME STREQUAL "f95")
+ # Add new gfortran flags
+ set(CPPFLAGS "${CPPFLAGS} -DG77")
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+ # Add old gfortran flags
+ set(CPPFLAGS "${CPPFLAGS} -DG77")
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
+#=========================================
# Add MPI preprocessor flags
+#=========================================
if (UNRES_WITH_MPI)
set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI")
endif(UNRES_WITH_MPI)
endif(UNRES_WITH_MPI)
# link libxdrf.a
#message("UNRES_XDRFLIB=${UNRES_XDRFLIB}")
-target_link_libraries( UNRES_BIN-MD-M xdrf-MD-M )
+target_link_libraries( UNRES_BIN-MD-M xdrf )
#=========================================
# TESTS