From 4790ea9509f38c776b5fbb042299b1a7a45a7fb3 Mon Sep 17 00:00:00 2001
From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Fri, 22 Apr 2016 19:46:21 +0200
Subject: [PATCH] cmake -DUNRES_DFA to switch on DFA in unres

---
 CMakeLists.txt                     |    1 +
 source/unres/src_MD/CMakeLists.txt |   94 ++++++++++++++++++++++++++++++++++--
 2 files changed, 92 insertions(+), 3 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 699a92a..821c630 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -133,6 +133,7 @@ option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON )
 # Piasek cluster devel stuff
 option(UNRES_NA_MMCE "Kompilujemy na mmmce?" OFF )
 
+option(UNRES_DFA "Choose whether or not to use DFA" OFF )
 
 #=================================
 # MPI stuff
diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index ae26be7..34a9996 100644
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -8,7 +8,8 @@ enable_language (Fortran)
 #================================
 # Set source file lists
 #================================
-set(UNRES_MD_SRC0 
+if(UNRES_DFA)
+ set(UNRES_MD_SRC0 
 	add.f 
 	arcos.f
 	banach.f 
@@ -82,6 +83,81 @@ set(UNRES_MD_SRC0
 	ssMD.F
 	dfa.F
 )
+else(UNRES_DFA)
+ set(UNRES_MD_SRC0 
+	add.f 
+	arcos.f
+	banach.f 
+	blas.f 
+	bond_move.f 
+	cartder.F 
+	cartprint.f 
+	check_sc_distr.f
+	check_bond.f 
+	chainbuild.F 
+	checkder_p.F 
+	compare_s1.F 
+	contact.f 
+	convert.f 
+	cored.f 
+	dihed_cons.F 
+	djacob.f 
+	econstr_local.F
+	eigen.f 
+	elecont.f 
+	energy_split-sep.F 
+	entmcm.F
+	fitsq.f 
+	gauss.f 
+	gen_rand_conf.F
+	geomout.F 
+	gnmr1.f 
+	intcartderiv.F 
+	initialize_p.F 
+	int_to_cart.f 
+	intcor.f 
+	intlocal.f 
+	kinetic_lesyng.f 
+	lagrangian_lesyng.F 
+	local_move.f 
+	map.f 
+	matmult.f 
+	mc.F 
+	mcm.F 
+	MD_A-MTS.F 
+	minimize_p.F 
+	minim_mcmf.F 
+	misc.f 
+	moments.f
+	MP.F 
+	MREMD.F 
+	muca_md.f 
+	parmread.F 
+	pinorm.f 
+	printmat.f 
+	prng_32.F
+	q_measure.F 
+	randgens.f 
+	rattle.F 
+	readpdb.F 
+	readrtns.F 
+	refsys.f 
+	regularize.F
+	rescode.f 
+	rmdd.f 
+	rmsd.F 
+	sc_move.F 
+	sort.f 
+	stochfric.F 
+	sumsld.f 
+	surfatom.f 
+	test.F
+	timing.F
+	thread.F 
+	unres.F
+	ssMD.F
+)
+endif(UNRES_DFA)
 
 set(UNRES_MD_SRC3 
 	energy_p_new_barrier.F 
@@ -177,6 +253,10 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
   set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
+if(UNRES_DFA)
+ set(CPPFLAGS "${CPPFLAGS} -DDFA")
+endif(UNRES_DFA)
+
 #=========================================
 # System specific flags
 #=========================================
@@ -224,10 +304,18 @@ set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 if(UNRES_WITH_MPI) 
   # binary with mpi
-  set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
+  if(UNRES_DFA)
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_DFA.exe")
+  else(UNRES_DFA)
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
+  endif(UNRES_DFA)
 else(UNRES_WITH_MPI)
   # binary without mpi
-  set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
+  if(UNRES_DFA)
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}_DFA.exe")
+  else(UNRES_DFA)
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
+  endif(UNRES_DFA)
 endif(UNRES_WITH_MPI)  
 
 #=========================================
-- 
1.7.9.5