WHAM -DISNAN fix

diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt
index d4b9ae5..36dc72a 100644 (file)
--- a/source/cluster/wham/src-M/CMakeLists.txt
+++ b/source/cluster/wham/src-M/CMakeLists.txt
@@ -89,7 +89,14 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
    set(CPPFLAGS "PROCOR  -DSPLITELE -DSCCORPDB" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
+#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN" 
 
+#=========================================
+# Compiler specific flags
+#=========================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   # Add ifort preprocessor flags
   set(CPPFLAGS "${CPPFLAGS} -DPGI") 

diff --git a/source/cluster/wham/src/CMakeLists.txt b/source/cluster/wham/src/CMakeLists.txt
index 07d9f89..265e2b3 100644 (file)
--- a/source/cluster/wham/src/CMakeLists.txt
+++ b/source/cluster/wham/src/CMakeLists.txt
@@ -87,7 +87,14 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
    set(CPPFLAGS "PROCOR  -DSPLITELE -DSCCORPDB" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
+#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN"
 
+#=========================================
+# Compiler specific flags
+#=========================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   # Add ifort preprocessor flags
   set(CPPFLAGS "${CPPFLAGS} -DPGI") 

diff --git a/source/wham/src-M/CMakeLists.txt b/source/wham/src-M/CMakeLists.txt
index fc71afa..286fd1a 100644 (file)
--- a/source/wham/src-M/CMakeLists.txt
+++ b/source/wham/src-M/CMakeLists.txt
@@ -127,6 +127,11 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
 endif(UNRES_MD_FF STREQUAL "GAB")
 
 #=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN" 
+
+#=========================================
 # System specific flags
 #=========================================
 if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")

diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt
index aeed5bc..c6b954d 100644 (file)
--- a/source/wham/src/CMakeLists.txt
+++ b/source/wham/src/CMakeLists.txt
@@ -113,7 +113,7 @@ set_property(SOURCE ${UNRES_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
 
 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
@@ -125,6 +125,12 @@ endif(UNRES_MD_FF STREQUAL "GAB")
 
 
 #=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN" 
+
+
+#=========================================
 # System specific flags
 #=========================================
 if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")