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adding in cmake UNRES_MD_FF = 4P for wham and cluster
author
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Thu, 7 May 2015 04:52:11 +0000
(06:52 +0200)
committer
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Thu, 7 May 2015 04:52:11 +0000
(06:52 +0200)
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
154c02e
..
a9c8e1f
100644
(file)
--- a/
source/cluster/wham/src-M/CMakeLists.txt
+++ b/
source/cluster/wham/src-M/CMakeLists.txt
@@
-91,6
+91,8
@@
if(UNRES_MD_FF STREQUAL "GAB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
+elseif(UNRES_MD_FF STREQUAL "4P")
+ set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
diff --git
a/source/cluster/wham/src/CMakeLists.txt
b/source/cluster/wham/src/CMakeLists.txt
index
1c2614d
..
9bf570e
100644
(file)
--- a/
source/cluster/wham/src/CMakeLists.txt
+++ b/
source/cluster/wham/src/CMakeLists.txt
@@
-92,6
+92,8
@@
if(UNRES_MD_FF STREQUAL "GAB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
+elseif(UNRES_MD_FF STREQUAL "4P")
+ set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
diff --git
a/source/wham/src-M/CMakeLists.txt
b/source/wham/src-M/CMakeLists.txt
index
9bfc96e
..
49dd0fb
100644
(file)
--- a/
source/wham/src-M/CMakeLists.txt
+++ b/
source/wham/src-M/CMakeLists.txt
@@
-126,6
+126,8
@@
if(UNRES_MD_FF STREQUAL "GAB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
+elseif(UNRES_MD_FF STREQUAL "4P")
+ set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
endif(UNRES_MD_FF STREQUAL "GAB")
#=========================================
diff --git
a/source/wham/src/CMakeLists.txt
b/source/wham/src/CMakeLists.txt
index
7f6193a
..
6bfb1c2
100644
(file)
--- a/
source/wham/src/CMakeLists.txt
+++ b/
source/wham/src/CMakeLists.txt
@@
-125,6
+125,8
@@
if(UNRES_MD_FF STREQUAL "GAB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
+elseif(UNRES_MD_FF STREQUAL "4P")
+ set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
endif(UNRES_MD_FF STREQUAL "GAB")