X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fxdrfpdb%2Fsrc%2FCMakeLists.txt;h=e7b6907c0f91a0ca5181f328b2975b8d9e782cb3;hb=b30191b71ae1a27f87f9ce6f6e9f33d264e80982;hp=e10be1aded76053b08510c437f87356212b561b4;hpb=4c94f7951107da471d3b5dfd8a07553258abf5f4;p=unres.git

diff --git a/source/xdrfpdb/src/CMakeLists.txt b/source/xdrfpdb/src/CMakeLists.txt
index e10be1a..e7b6907 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
@@ -74,44 +74,75 @@ set_property(SOURCE ${UNRES_XDRF_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS
 # Build the binaries
 #=========================================
 add_executable(xdrf2pdb   ${UNRES_XDRF_XDRF2PDB_SRC} )
+set_property(TARGET xdrf2pdb PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 target_link_libraries( xdrf2pdb xdrf )
 
 add_executable(xdrf2pdb-m ${UNRES_XDRF_XDRF2PDB-M_SRC} )
+set_property(TARGET xdrf2pdb-m PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 target_link_libraries( xdrf2pdb-m xdrf )
 
 add_executable(xdrf2x     ${UNRES_XDRF_XDRF2X_SRC} )
+set_property(TARGET xdrf2x PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 target_link_libraries( xdrf2x xdrf )
 
 add_executable(xdrf2ang   ${UNRES_XDRF_XDRF2XANG_SRC} )
+set_property(TARGET xdrf2ang PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 target_link_libraries( xdrf2ang xdrf )
 
 
 #=========================================
+# Install Path
+#=========================================
+install(TARGETS xdrf2pdb	DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb)
+install(TARGETS xdrf2pdb-m	DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb)
+install(TARGETS xdrf2x		DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb)
+install(TARGETS xdrf2ang	DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb)
+
+
+#=========================================
 # TESTS
 #=========================================
 
+  if (UNRES_SRUN)
+   set (SRUN "srun")
+  else()
+   set (SRUN "")
+  endif()
+
+
 
 # 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 )
+add_test(NAME XDRF2PDB-one   COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb one ala10one.seq ala10MD.cx )
+add_test(NAME XDRF2PDB-three COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb three ala10three.seq ala10MD.cx )
+
+# Test xdrf2pdb-m
+add_test(NAME XDRF2PDB-M-one   COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m one 1L2Yone.seq 1L2Y_MREMD_MD000.cx 32 30 )
+add_test(NAME XDRF2PDB-M-three COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/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 )
+add_test(NAME XDRF2ANG-one   COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2ang one ala10one.seq ala10MD.cx )
+add_test(NAME XDRF2ANG-three COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2ang three ala10three.seq ala10MD.cx )