UNRES single MD for MPI ctest file permissions fix

[unres.git] / source / unres / src_MD / CMakeLists.txt

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 86c61fe..26843d6 100644 (file)
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -59,7 +59,6 @@ set(UNRES_MD_SRC0
        parmread.F 
        pinorm.f 
        printmat.f 
-       prng_32.F 
        q_measure.F 
        randgens.f 
        rattle.F 
@@ -81,10 +80,10 @@ set(UNRES_MD_SRC0
        unres.F
 )
 
-if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(UNRES_MD_SRC0 "${UNRES_MDM_SRC0} prng.f") 
-else
-  set(UNRES_MD_SRC0 "${UNRES_MDM_SRC0} prng_32.F")
+if(Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) 
+else()
+  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng_32.F )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -118,7 +117,6 @@ set(UNRES_MD_PP_SRC
        MP.F 
        MREMD.F 
        parmread.F 
-       prng_32.F 
        q_measure1.F 
        q_measure3.F 
        q_measure.F
@@ -138,7 +136,7 @@ set(UNRES_MD_PP_SRC
 
 
 if(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(UNRES_MD_PP_SRC "${UNRES_MDM_PP_SRC} prng_32.F") 
+  set(UNRES_MD_PP_SRC ${UNRES_MD_PP_SRC} prng_32.F) 
 endif(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
 
 #================================================
@@ -216,7 +214,9 @@ if (UNRES_WITH_MPI)
   set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
 endif(UNRES_WITH_MPI)
 
+#=========================================
 # Apply preprocesor flags to *.F files
+#=========================================
 set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
 
@@ -225,10 +225,10 @@ set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 if(UNRES_WITH_MPI) 
   # binary with mpi
-  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_FF}.exe")
+  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_MD_FF}.exe")
 else(UNRES_WITH_MPI)
   # binary without mpi
-  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_FF}.exe")
+  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
 endif(UNRES_WITH_MPI)  
 
 #=========================================
@@ -298,7 +298,7 @@ target_link_libraries( UNRES_BIN-MD xdrf )
 #  test_single_ala.sh
 #=========================================
 
-FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh
 "#!/bin/sh
 export POT=GB
 export PREFIX=ala10
@@ -321,6 +321,16 @@ export PATTERN=$DD/patterns.cart
 $UNRES_BIN
 ")
 
+#
+# File permissions workaround
+#
+FILE(  COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh 
+       DESTINATION ${CMAKE_CURRENT_BINARY_DIR}
+       FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
+)
+
+
+
 #=========================================
 #  ala10.inp
 #=========================================
@@ -353,9 +363,13 @@ XAAAAAAAAAAX
 # Add tests
 
 if(NOT UNRES_WITH_MPI)
-
+                  
   add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
+else(NOT UNRES_WITH_MPI)
+
+
+  add_test(NAME UNRES_MD_MPI_Ala10 COMMAND mpirun -np 1 ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
 endif(NOT UNRES_WITH_MPI)