cmake and ctest corrections for mpi and srun

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

diff --git a/source/xdrfpdb/src/CMakeLists.txt b/source/xdrfpdb/src/CMakeLists.txt
index dabac2e..e7b6907 100644 (file)
--- a/source/xdrfpdb/src/CMakeLists.txt
+++ b/source/xdrfpdb/src/CMakeLists.txt
@@ -103,6 +103,13 @@ install(TARGETS xdrf2ang   DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb)
 # TESTS
 #=========================================
 
+  if (UNRES_SRUN)
+   set (SRUN "srun")
+  else()
+   set (SRUN "")
+  endif()
+
+
 
 # Create files needed for tests
 
@@ -126,16 +133,16 @@ file(     COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y_MREMD_MD000.cx
 
 
 # Test xdrf2pdb 
-add_test(NAME XDRF2PDB-one   COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2pdb one ala10one.seq ala10MD.cx )
-add_test(NAME XDRF2PDB-three COMMAND ${CMAKE_BINARY_DIR}/bin/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 ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m one 1L2Yone.seq 1L2Y_MREMD_MD000.cx 32 30 )
-add_test(NAME XDRF2PDB-M-three COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m three 1L2Ythree.seq 1L2Y_MREMD_MD000.cx 32 30 )
+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 ${CMAKE_BINARY_DIR}/bin/xdrf2ang one ala10one.seq ala10MD.cx )
-add_test(NAME XDRF2ANG-three COMMAND ${CMAKE_BINARY_DIR}/bin/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 )