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[unres.git]
/
CMakeLists.txt
diff --git
a/CMakeLists.txt
b/CMakeLists.txt
index
3022b58
..
ce545e5
100644
(file)
--- a/
CMakeLists.txt
+++ b/
CMakeLists.txt
@@
-7,7
+7,7
@@
project(UNRESPACK Fortran C)
set(UNRES_MAJOR 3)
set(UNRES_MINOR 2)
set(UNRES_MAJOR 3)
set(UNRES_MINOR 2)
-set(UNRES_PATCH 1)
+set(UNRES_PATCH 2)
set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
#======================================
set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
#======================================
@@
-116,7
+116,7
@@
set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install di
# Set force field
if (NOT UNRES_FF)
# Set force field
if (NOT UNRES_FF)
- set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
+ set(UNRES_MD_FF "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y")
endif (NOT UNRES_FF)
set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y")
endif (NOT UNRES_FF)
@@
-144,7
+144,12
@@
find_package(MPI QUIET)
if (MPI_Fortran_FOUND)
message("MPI found")
FIX_DBL_INCLUDE(MPI_Fortran_INCLUDE_PATH)
if (MPI_Fortran_FOUND)
message("MPI found")
FIX_DBL_INCLUDE(MPI_Fortran_INCLUDE_PATH)
+ message(MPI_Fortran_INCLUDE_PATH)
+ message(${MPI_Fortran_INCLUDE_PATH})
+ message(MPI_Fortran_LIBRARIES)
+ message(${MPI_Fortran_LIBRARIES})
option(UNRES_SRUN "Use srun instead of mpiexec ?" OFF )
option(UNRES_SRUN "Use srun instead of mpiexec ?" OFF )
+ option(UNRES_MPIRUN "Use mpirun instead of mpiexec ?" OFF )
else()
message("MPI not found - disabling MPI compile flags ")
set ( UNRES_WITH_MPI "OFF")
else()
message("MPI not found - disabling MPI compile flags ")
set ( UNRES_WITH_MPI "OFF")