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Correction in readrtns
[unres.git]
/
source
/
wham
/
src-M
/
CMakeLists.txt
diff --git
a/source/wham/src-M/CMakeLists.txt
b/source/wham/src-M/CMakeLists.txt
index
afa0f19
..
678a85f
100644
(file)
--- a/
source/wham/src-M/CMakeLists.txt
+++ b/
source/wham/src-M/CMakeLists.txt
@@
-61,6
+61,7
@@
set(UNRES_WHAM_M_SRC0
proc_cont.f
define_pairs.f
mysort.f
proc_cont.f
define_pairs.f
mysort.f
+ ssMD.F
)
set(UNRES_WHAM_M_PP_SRC
)
set(UNRES_WHAM_M_PP_SRC
@@
-120,6
+121,7
@@
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
+
#=========================================
# Settings for E0LL2Y force field
#=========================================
#=========================================
# Settings for E0LL2Y force field
#=========================================
@@
-153,6
+155,9
@@
elseif (Fortran_COMPILER_NAME STREQUAL "f95")
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
# Add old gfortran flags
set(CPPFLAGS "${CPPFLAGS} -DG77")
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
# Add old gfortran flags
set(CPPFLAGS "${CPPFLAGS} -DG77")
+else (Fortran_COMPILER_NAME STREQUAL "ifort")
+ # Default preprocessor flags
+ set(CPPFLAGS "${CPPFLAGS} -DPGI")
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
#=========================================
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
#=========================================
@@
-176,7
+181,7
@@
set_property(SOURCE ${UNRES_WHAM_M_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLA
#========================================
# Setting binary name
#========================================
#========================================
# Setting binary name
#========================================
-set(UNRES_WHAM_M_BIN "wham_M_${Fortran_COMPILER_NAME}.exe")
+set(UNRES_WHAM_M_BIN "wham_M_${Fortran_COMPILER_NAME}_${UNRES_MD_FF}.exe")
#=========================================
# cinfo.f workaround for CMake
#=========================================
# cinfo.f workaround for CMake
@@
-235,7
+240,7
@@
target_link_libraries( UNRES_WHAM_M_BIN xdrf )
#=========================================
# Install Path
#=========================================
#=========================================
# Install Path
#=========================================
-install(TARGETS UNRES_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX})
+install(TARGETS UNRES_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
#=========================================
#=========================================