ctest dfa

diff --git a/ctest/dfa_newcorr/dfa_wham.cx b/ctest/dfa_newcorr/dfa_wham.cx
new file mode 100644 (file)
index 0000000..3586a6f
Binary files /dev/null and b/ctest/dfa_newcorr/dfa_wham.cx differ

diff --git a/ctest/dfa_newcorr/remd_dfa_MD000.cx b/ctest/dfa_newcorr/remd_dfa_MD000.cx
index 4ac0b9c..a9aedc7 100644 (file)
Binary files a/ctest/dfa_newcorr/remd_dfa_MD000.cx and b/ctest/dfa_newcorr/remd_dfa_MD000.cx differ

diff --git a/source/wham/src-M-SAXS-homology/CMakeLists.txt b/source/wham/src-M-SAXS-homology/CMakeLists.txt
index 17d0113..2431360 100644 (file)
--- a/source/wham/src-M-SAXS-homology/CMakeLists.txt
+++ b/source/wham/src-M-SAXS-homology/CMakeLists.txt
@@ -400,7 +400,7 @@ if(UNRES_MD_FF STREQUAL "E0LL2Y")
        FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
   )
 
-  add_test(NAME WHAM_M_remd_dfa COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/dfa/wham_mpi_E0LL2Y_dfa.sh dfa_wham 2  WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa )
+  add_test(NAME WHAM_M_remd_dfa COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/dfa/wham_mpi_E0LL2Y.sh dfa_wham 2  WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa )
  endif(UNRES_DFA)
 
  add_test(NAME WHAM_M_remd COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/wham_mpi_E0LL2Y.sh 1L2Y_wham 2 )
@@ -426,6 +426,9 @@ if(UNRES_MD_FF STREQUAL "NEWCORR")
   FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa
         DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
 
+  FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa_newcorr/
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa/ FILES_MATCHING PATTERN "*" )
+
   FILE(        COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh 
        DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa
        FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE