From ebe5a24f814747e3817bba4d7c0534f9f6fb3640 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Thu, 7 May 2015 06:52:11 +0200 Subject: [PATCH] adding in cmake UNRES_MD_FF = 4P for wham and cluster --- source/cluster/wham/src-M/CMakeLists.txt | 2 ++ source/cluster/wham/src/CMakeLists.txt | 2 ++ source/wham/src-M/CMakeLists.txt | 2 ++ source/wham/src/CMakeLists.txt | 2 ++ 4 files changed, 8 insertions(+) diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt index 154c02e..a9c8e1f 100644 --- 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 "4P") + set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" ) 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 --- 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 "4P") + set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" ) 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 --- 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 "4P") + set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" ) endif(UNRES_MD_FF STREQUAL "GAB") #========================================= diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt index 7f6193a..6bfb1c2 100644 --- 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 "4P") + set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" ) endif(UNRES_MD_FF STREQUAL "GAB") -- 1.7.9.5