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Merge branch 'prerelease-3.2.1' into devel
[unres.git]
/
source
/
wham
/
src
/
CMakeLists.txt
diff --git
a/source/wham/src/CMakeLists.txt
b/source/wham/src/CMakeLists.txt
index
aeed5bc
..
6f762b1
100644
(file)
--- a/
source/wham/src/CMakeLists.txt
+++ b/
source/wham/src/CMakeLists.txt
@@
-37,6
+37,7
@@
set(UNRES_WHAM_SRC0
rescode.f
setup_var.f
slices.F
rescode.f
setup_var.f
slices.F
+ ssMD.F
store_parm.F
timing.F
wham_calc1.F
store_parm.F
timing.F
wham_calc1.F
@@
-79,6
+80,7
@@
set(UNRES_WHAM_PP_SRC
readrtns_compar.F
readrtns.F
slices.F
readrtns_compar.F
readrtns.F
slices.F
+ ssMD.F
store_parm.F
timing.F
wham_calc1.F
store_parm.F
timing.F
wham_calc1.F
@@
-113,7
+115,7
@@
set_property(SOURCE ${UNRES_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
- set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
+ set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
#=========================================
# Settings for E0LL2Y force field
#=========================================
# Settings for E0LL2Y force field
@@
-125,6
+127,12
@@
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DWHAM ")
+
+
+#=========================================
# System specific flags
#=========================================
if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
# System specific flags
#=========================================
if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
@@
-144,6
+152,9
@@
elseif (Fortran_COMPILER_NAME STREQUAL "f95")
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
# Add old gfortran flags
set(CPPFLAGS "${CPPFLAGS} -DG77")
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
# Add old gfortran flags
set(CPPFLAGS "${CPPFLAGS} -DG77")
+else (Fortran_COMPILER_NAME STREQUAL "ifort")
+ # Default preprocessor flags
+ set(CPPFLAGS "${CPPFLAGS} -DPGI")
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
#=========================================
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
#=========================================