X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fxdrfpdb%2Fsrc%2FCMakeLists.txt;h=fbe654cff04e348cfaa56188e792dab99850f5d1;hb=273bce4a18c4bf0edd2878a93fa1d40dcaf46a81;hp=2bed028f58044137deb23c5f0f1035c9f92e8142;hpb=74c3483a0a337cf5b1a22abcc47ba3b7eff00b27;p=unres.git

diff --git a/source/xdrfpdb/src/CMakeLists.txt b/source/xdrfpdb/src/CMakeLists.txt
index 2bed028..fbe654c 100644
--- 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
@@ -92,20 +92,37 @@ target_link_libraries( xdrf2ang xdrf )
 
 
 # Create files needed for tests
- 
-file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10one.seq
-"XAAAAAAAAAAX"
-)
 
-file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10three.seq
-"D   Ala Ala Ala Ala Ala Ala Ala Ala Ala Ala D  "
-)
+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 )
+
+
+