X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc-HCD-5D%2FCMakeLists.txt;h=186c88eede00b3929bc1250c7b6c25cb5ed276ae;hb=58980cd5a21077fd523753ffccc036765ef70d82;hp=ccc6e3ae590615d9e3adc9fbb6568c20f6488344;hpb=9b49bbe75f359db5fb74d6faee5ded3e65472e96;p=unres.git

diff --git a/source/unres/src-HCD-5D/CMakeLists.txt b/source/unres/src-HCD-5D/CMakeLists.txt
index ccc6e3a..186c88e 100644
--- a/source/unres/src-HCD-5D/CMakeLists.txt
+++ b/source/unres/src-HCD-5D/CMakeLists.txt
@@ -103,6 +103,8 @@ set(UNRES_MDM_SRC0
          contact_cp.F
          make_xx_list.F
          int_from_cart.F
+         gen_rand_conf_mchain.F
+         orig_frame_chain.F
 )
 
 set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F )
@@ -176,6 +178,8 @@ set(UNRES_MDM_PP_SRC
         contact_cp.F
         make_xx_list.F
         int_from_cart.F
+        gen_rand_conf_mchain.F
+        orig_frame_chain.F
 ) 
 
 if(UNRES_DFA)
@@ -248,7 +252,11 @@ if(UNRES_DFA)
 endif(UNRES_DFA)
 
 if(UNRES_5D)
- set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG -DLBFGS" )
+ if (UNRES_SUMSLD)
+  set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG " )
+ else()
+  set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG -DLBFGS" )
+ endif()
 endif()
 
 #=========================================
@@ -313,7 +321,11 @@ if(UNRES_DFA)
  set(DFA "_DFA")
 endif()
 if(UNRES_5D)
- set(HCD-5D "_HCD-5D")
+ if (UNRES_SUMSLD)
+  set(HCD-5D "_HCD-5D-SUMSLD")
+ else()
+  set(HCD-5D "_HCD-5D")
+ endif()
 endif()
 
 if(UNRES_WITH_MPI) 
@@ -1212,6 +1224,7 @@ else(NOT UNRES_WITH_MPI)
         DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa
         FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE )
      add_test(NAME UNRES_CHECKGRAD1_dfa COMMAND ${mpiexec} ${boot_lam} ${np} 1 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh checkgrad_dfa 1 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa)
+     add_test(NAME UNRES_CHECKGRAD2_dfa COMMAND ${mpiexec} ${boot_lam} ${np} 2 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh checkgrad_dfa 1 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa)
      add_test(NAME UNRES_remd_dfa COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/dfa/test_mpi_E0LL2Y.sh remd_dfa 1 8 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa )
     endif()