#
cmake_minimum_required(VERSION 2.8)
-project(unrespack C Fortran)
+project(unrespack Fortran C)
set(UNRES_MAJOR 3)
set(UNRES_MINOR 1)
set(UNRES_PATCH 0)
# Set the force field
if (NOT UNRES_FF)
- set(UNRES_FF "GAB" "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y " )
+ set(UNRES_FF "GAB" "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
#message ( "Please set the Force field (UNRES_FF) to : GAB, 0ELE" )
endif (NOT UNRES_FF)
enable_language (Fortran)
+# xdrf library
+add_subdirectory(xdrf)
+
# Set sources
set(UNRES_MD_SRC0 unres.F arcos.f cartprint.f chainbuild.F convert.f
initialize_p.F matmult.f readrtns.F parmread.F gen_rand_conf.F
if(UNRES_FF STREQUAL "GAB")
- set(CPPFLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANGO -DCRYST_BOND
- -DCRYST_THETA -DCRYST_SC )
+ set(CMAKE_CXX_FLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANGO
+ -DCRYST_BOND -DCRYST_THETA -DCRYST_SC )
+ set(UNRES_BIN unres_ifort_MPICH_GAB.exe )
else(UNRES_FF strequal "E0LL2Y")
- set(CPPFLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANG0 )
+ set(CMAKE_CXX__FLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANG0 )
endif()
-add_executable(unres ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} )
+add_executable(compinfo compinfo.c)
+add_custom_command(OUTPUT cinfo.f COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true )
+add_executable(${UNRES_BIN} ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} cinfo.f )
+
--- /dev/null
+#
+# CMake project file for UNRESPACK
+#
+
+# m4 macro processor
+add_custom_command(
+ OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/libxdrf.c
+ COMMAND m4
+ ARGS ${CMAKE_CURRENT_SOURCE_DIR}/underscore.m4 ${CMAKE_CURRENT_SOURCE_DIR}/libxdrf.m4 > ${CMAKE_CURRENT_BINARY_DIR}/libxdrf.c
+ VERBATIM
+)
+
+# add headers from current dir
+include_directories(${CMAKE_CURRENT_SOURCE_DIR})
+
+# compile the libxdrf library
+add_library(xdrf STATIC libxdrf.c ftocstr.c)
+
+