X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2FCMakeLists.txt;fp=source%2Funres%2Fsrc_MIN%2FCMakeLists.txt;h=c57587a51cd9cec79ff93011fba261474def64f7;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
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+++ b/source/unres/src_MIN/CMakeLists.txt
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+#
+# CMake project file for UNRES with Minimazation 
+# 
+
+enable_language (Fortran)
+
+#================================
+# Set source file lists
+#================================
+set(UNRES_MIN_SRC0 
+	arcos.f
+	cartder.F 
+	cartprint.f 
+	chainbuild.F 
+	checkder_p.F 
+	convert.f 
+	econstr_local.F
+	geomout_min.F
+	initialize_p.F 
+	intcartderiv.F
+	intcor.f 
+	intlocal.f 
+	int_to_cart.f 
+	matmult.f 
+	minimize_p.F
+	misc.f 
+	MP.F 
+	parmread.F 
+	pinorm.f 
+	printmat.f 
+	randgens.f 
+	readrtns_min.F
+	rescode.f 
+	rmdd.f 
+	sumsld.f 
+	timing.F
+	unres_min.F
+
+)
+
+set(UNRES_MIN_SRC1 
+	cored.f
+)
+
+set(UNRES_MIN_SRC2 
+	readpdb.F
+)
+
+set(UNRES_MIN_SRC3 
+	energy_p_new_barrier.F
+	gradient_p.F
+)
+
+set(UNRES_MIN_PP_SRC
+	bank.F 
+	cartder.F 
+	chainbuild.F 
+	checkder_p.F 
+	compare_s1.F
+	cored.f
+	csa.f 
+	dihed_cons.F
+	diff12.f 
+	econstr_local.F
+	energy_p_new.F
+	energy_p_new_barrier.F 
+	energy_split-sep.F 
+	entmcm.F 
+	gen_rand_conf.F
+	geomout.F 
+	gradient_p.F 
+	intcor.f
+	initialize_p.F 
+	intcartderiv.F 
+	lagrangian_lesyng.F 
+	matmult.f
+	mc.F 
+	mcm.F 
+	MD_A-MTS.F
+	minimize_p.F 
+	minim_jlee.F
+	minim_mcmf.F 
+	MP.F 
+	MREMD.F
+	newconf.f 
+	parmread.F 
+	permut.F
+	prng_32.F 
+	q_measure1.F 
+	q_measure3.F 
+	q_measure.F
+	ran.f
+	rattle.F 
+	readpdb.F 
+	readrtns_min.F
+	regularize.F
+	rmdd.f 
+	rmsd.F 
+	sc_move.F
+	shift.F 
+	stochfric.F
+	sumsld.f 
+	test.F 
+	thread.F 
+	timing.F
+	together.F
+	unres.F 
+) 
+
+
+#================================================
+# Set comipiler flags for different sourcefiles  
+#================================================
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  find_package (Threads)
+  set(FFLAGS0 "-g -ip -w" ) 
+  set(FFLAGS1 "-w -g -d2 -CA -CB" ) 
+  set(FFLAGS2 "-w -g -00 ")
+  set(FFLAGS3 "-g -w -ipo " )
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  set(FFLAGS0 "-O" ) 
+  set(FFLAGS1 "-g -C" ) 
+  set(FFLAGS2 "-g -O0 ")
+  set(FFLAGS3 "-O3" )
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
+set_property(SOURCE ${UNRES_MIN_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+set_property(SOURCE ${UNRES_MIN_SRC1} PROPERTY COMPILE_FLAGS ${FFLAGS1} )
+set_property(SOURCE ${UNRES_MIN_SRC2} PROPERTY COMPILE_FLAGS ${FFLAGS2} )
+set_property(SOURCE ${UNRES_MIM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
+
+# set preprocesor flags   
+set(CPPFLAGS "PROCOR -DLINUX -DISNAN -DSPLITELE -DLANG0" )
+
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  # Add ifort preprocessor flags
+  set(CPPFLAGS "${CPPFLAGS} -DPGI") 
+elseif (Fortran_COMPILER_NAME STREQUAL "f95")
+  # Add gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  # Add gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
+# add 64-bit specific preprocessor flags
+if (architektura STREQUAL "64")
+  set(CPPFLAGS "${CPPFLAGS} -DAMD64")
+endif (architektura STREQUAL "64")
+
+# Apply preprocesor flags to *.F files
+set_property(SOURCE ${UNRES_MIN_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
+
+
+
+#========================================
+#  Setting binary name
+#========================================
+set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
+
+#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+
+#=========================================
+# Set full unres MIN sources
+#=========================================
+set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES_MIN_SRC3} cinfo.f )
+
+#=========================================
+# Build the binary
+#=========================================
+add_executable(UNRES_BIN-MIN ${UNRES_MIN_SRCS} )
+set_target_properties(UNRES_BIN-MIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
+
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  target_link_libraries (UNRES_BIN-MIN ${CMAKE_THREAD_LIBS_INIT})
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
+
+#=========================================
+# TESTS 
+#=========================================
+
+#-- Copy all the data files from the test directory into the source directory
+#SET(UNRES_TEST_FILES
+#	ala10.inp
+#    )
+
+#FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+#      SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
+#      MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
+#      ADD_CUSTOM_COMMAND (
+#          TARGET     ${UNRES_BIN}
+#          POST_BUILD
+#          COMMAND    ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
+#      )
+#ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+
+#=========================================
+# Generate data test files
+#=========================================
+
+#if(NOT UNRES_WITH_MPI)
+
+#  add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
+
+#endif(NOT UNRES_WITH_MPI)
+