homology from okeanos

[unres.git] / source / xdrfpdb / src / CMakeLists.txt

diff --git a/source/xdrfpdb/src/CMakeLists.txt b/source/xdrfpdb/src/CMakeLists.txt
index 4e398c1..fbe654c 100644 (file)
--- a/source/xdrfpdb/src/CMakeLists.txt
+++ b/source/xdrfpdb/src/CMakeLists.txt
@@ -57,7 +57,7 @@ set(UNRES_XDRF_PP_SRC
        xdrf2x.F        
 )
 
-set(CPPFLAGS "PROCOR -DUNRES -DMP -DMPI -DSPLITELE -DNEWUNRES" )
+set(CPPFLAGS "PROCOR -DUNRES -DSPLITELE -DNEWUNRES" )
 
 #=========================================
 # System specific flags
@@ -86,4 +86,43 @@ add_executable(xdrf2ang   ${UNRES_XDRF_XDRF2XANG_SRC} )
 target_link_libraries( xdrf2ang xdrf )
 
 
+#=========================================
+# TESTS
+#=========================================
+
+
+# Create files needed for tests
+
+file(  COPY ${CMAKE_SOURCE_DIR}/ctest/ala10one.seq
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(  COPY ${CMAKE_SOURCE_DIR}/ctest/ala10three.seq 
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(  COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Yone.seq
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(  COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Ythree.seq
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(  COPY ${CMAKE_SOURCE_DIR}/ctest/ala10MD.cx 
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(  COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y_MREMD_MD000.cx 
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+
+# Test xdrf2pdb 
+add_test(NAME XDRF2PDB-one   COMMAND xdrf2pdb one ala10one.seq ala10MD.cx )
+add_test(NAME XDRF2PDB-three COMMAND xdrf2pdb three ala10three.seq ala10MD.cx )
+
+# Test xdrf2pdb-m
+add_test(NAME XDRF2PDB-M-one   COMMAND xdrf2pdb-m one 1L2Yone.seq 1L2Y_MREMD_MD000.cx 32 30 )
+add_test(NAME XDRF2PDB-M-three COMMAND xdrf2pdb-m three 1L2Ythree.seq 1L2Y_MREMD_MD000.cx 32 30 )
+
+# Test xdrf2ang
+add_test(NAME XDRF2ANG-one   COMMAND xdrf2ang one ala10one.seq ala10MD.cx )
+add_test(NAME XDRF2ANG-three COMMAND xdrf2ang three ala10three.seq ala10MD.cx )
+
+