arcos.f
cartder.f
cartprint.f
- chainbuild.f
+ chainbuild.F
geomout.F
gnmr1.f
icant.f
timing.F
wham_calc1.F
readrtns_compar.F
- readpdb.f
+ readpdb.F
fitsq.f
contact.f
elecont.f
proc_cont.f
define_pairs.f
mysort.f
+ dfa.F
)
set(UNRES_WHAM_PP_SRC
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
set(FFLAGS0 "-std=legacy -g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" )
else ()
- set(FFLAGS0 "-g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" )
+ set(FFLAGS0 "-g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" )
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
#=========================================
# Link libraries
#=========================================
-# link MPI libraries
-target_link_libraries( UNRES_WHAM_BIN ${MPI_Fortran_LIBRARIES} )
+# link MPI library (libmpich.a)
+target_link_libraries( UNRES_WHAM_BIN ${MPIF_LIBRARIES} )
# link libxdrf.a
target_link_libraries( UNRES_WHAM_BIN xdrf )