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WHAM -DISNAN fix
author
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
Thu, 10 Jan 2013 10:21:22 +0000
(11:21 +0100)
committer
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
Thu, 10 Jan 2013 10:21:22 +0000
(11:21 +0100)
source/cluster/wham/src-M/CMakeLists.txt
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source/cluster/wham/src/CMakeLists.txt
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source/wham/src-M/CMakeLists.txt
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source/wham/src/CMakeLists.txt
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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")
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")
if (Fortran_COMPILER_NAME STREQUAL "ifort")
# Add ifort preprocessor flags
set(CPPFLAGS "${CPPFLAGS} -DPGI")
diff --git
a/source/cluster/wham/src/CMakeLists.txt
b/source/cluster/wham/src/CMakeLists.txt
index
07d9f89
..
265e2b3
100644
(file)
--- a/
source/cluster/wham/src/CMakeLists.txt
+++ b/
source/cluster/wham/src/CMakeLists.txt
@@
-87,7
+87,14
@@
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
+#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN"
+#=========================================
+# Compiler specific flags
+#=========================================
if (Fortran_COMPILER_NAME STREQUAL "ifort")
# Add ifort preprocessor flags
set(CPPFLAGS "${CPPFLAGS} -DPGI")
if (Fortran_COMPILER_NAME STREQUAL "ifort")
# Add ifort preprocessor flags
set(CPPFLAGS "${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")
#=========================================
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN"
+
+#=========================================
# System specific flags
#=========================================
if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
# 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 ${FFLAGS0} )
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
- set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
+ set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
#=========================================
# Settings for E0LL2Y force field
#=========================================
# Settings for E0LL2Y force field
@@
-125,6
+125,12
@@
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN"
+
+
+#=========================================
# System specific flags
#=========================================
if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
# System specific flags
#=========================================
if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")