set(UNRES_MINOR 1)
set(UNRES_PATCH 0)
set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
-
+
#======================================
-# CTest stuff
+# MACROS
#======================================
+# Get system date
+MACRO (TODAY RESULT)
+ IF (WIN32)
+ EXECUTE_PROCESS(COMMAND "date" "/T" OUTPUT_VARIABLE ${RESULT})
+ string(REGEX REPLACE "(..)/(..)/..(..).*" "\\3\\2\\1" ${RESULT} ${${RESULT}})
+ ELSEIF(UNIX)
+ EXECUTE_PROCESS(COMMAND "date" OUTPUT_VARIABLE ${RESULT})
+ string(REGEX REPLACE "(...) (...) (.+) (..:..:..) (.+) (....).*" "\\1 \\2 \\3 \\4 \\5 \\6" ${RESULT} ${${RESULT}})
+ ELSE (WIN32)
+ MESSAGE(SEND_ERROR "date not implemented")
+ SET(${RESULT} 000000)
+ ENDIF (WIN32)
+ENDMACRO (TODAY)
+
+# foramt variables used in cinfo.f
+MACRO (CINFO_FORMAT FN VN VD)
+# 50 znakowi
+# 73 w całej linii
+# write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
+ string(LENGTH "${VN}" VNLEN)
+ string(LENGTH "${VD}" VDLEN)
+ set(STR "${VN} ${VD}")
+ string(LENGTH "${STR}" SUMA)
+ math(EXPR STRLEN 50-${VNLEN})
+# message("lancuch=${STRLEN}")
+# Fit in one line?
+# No.
+ if(SUMA GREATER 50)
+ string(SUBSTRING "${STR}" 0 50 STR_OUT)
+# message(" write(iout,*)'${VAR} = ${STR_OUT}'")
+ file(APPEND ${FN} " write(iout,*)'${STR_OUT}'\n")
+ math(EXPR STRLEN ${SUMA}-50)
+ string(SUBSTRING "${STR}" 50 ${STRLEN} STR)
+ string(LENGTH "${STR}" STRLEN)
+ while(STRLEN GREATER 48)
+# message("Przycinam lancuch")
+ string(SUBSTRING "${STR}" 0 48 STR_OUT)
+ file(APPEND ${FN} " write(iout,*)' ${STR_OUT}'\n")
+ math(EXPR STRLEN ${STRLEN}-49)
+ string(SUBSTRING "${STR}" 49 ${STRLEN} STR)
+ string(LENGTH "${STR}" STRLEN)
+ endwhile(STRLEN GREATER 48)
+ file(APPEND ${FN} " write(iout,*)' ${STR}'\n")
+# MESSAGE("DLUGOSC = ${VNLEN}; DLUGOSCD = ${VDLEN}; SUMA=${SUMA}; ${VAR} = ${${VAR}} " )
+# Yes
+ else(SUMA GREATER 50)
+ file(APPEND ${FN} " write(iout,*)'${STR}'\n")
+ endif(SUMA GREATER 50)
+ENDMACRO (CINFO_FORMAT)
+#======================================
+# CTest stuff
+#======================================A
+
include(CTest)
enable_testing()
cartprint.f
chainbuild.F
checkder_p.F
- cinfo.f
contact.f
convert.f
cored.f
set(UNRES_BIN "unresCSA_${Fortran_COMPILER_NAME}_${UNRES_CSA_FF}.exe")
#=========================================
-# cinfo.f stupid workaround for cmake
-# - shame on me ]:)
+# cinfo.f workaround for CMake
#=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-csa compinfo.c)
-set_target_properties(compinfo-csa PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS
- COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true
- DEPENDS compinfo-csa )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get current time
+TODAY(DATE)
+# generate cinfo.f
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+"C CMake generated file
+ subroutine cinfo
+ include 'COMMON.IOUNITS'
+ write(iout,*)'++++ Compile info ++++'
+ write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+ write(iout,*)'Compiled ${DATE}'
+ write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
+ write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
+ write(iout,*)'OS release: ${CMAKE_SYSTEM}'
+ write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
+ write(iout,*)'CSA Force field: ${UNRES_CSA_FF}'
+ write(iout,*)'++++ End of compile info ++++'
+ return
+ end
+")
+# set include path
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}" )
#=========================================
# Set full unres CSA sources
#=========================================
-set(UNRES_CSA_SRCS ${UNRES_CSA_SRC0} ${UNRES_CSA_SRC3} ${UNRES_CINFO_DIR}/cinfo.f )
+set(UNRES_CSA_SRCS ${UNRES_CSA_SRC0} ${UNRES_CSA_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
#=========================================
# Build the binary
endif(UNRES_WITH_MPI)
#=========================================
-# cinfo.f stupid workaround for cmake
-# - shame on me ]:)
+# cinfo.f workaround for cmake
#=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-mdm compinfo.c)
-set_target_properties(compinfo-mdm PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS
- COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true
- DEPENDS compinfo-mdm )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get the current date
+TODAY(DATE)
+# generate cinfo.f
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+"C CMake generated file
+ subroutine cinfo
+ include 'COMMON.IOUNITS'
+ write(iout,*)'++++ Compile info ++++'
+ write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+ write(iout,*)'Compiled ${DATE}'
+ write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
+ write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
+ write(iout,*)'OS release: ${CMAKE_SYSTEM}'
+ write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
+ write(iout,*)'MD Force field: ${UNRES_MD_FF}'
+ write(iout,*)'++++ End of compile info ++++'
+ return
+ end
+")
+# add include path
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}")
#=========================================
# Set full unres MD-M sources
#=========================================
-set(UNRES_MDM_SRCS ${UNRES_MDM_SRC0} ${UNRES_MDM_SRC3} ${UNRES_CINFO_DIR}/cinfo.f proc_proc.c )
+set(UNRES_MDM_SRCS ${UNRES_MDM_SRC0} ${UNRES_MDM_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f proc_proc.c )
#=========================================
# Build the binary
endif(UNRES_WITH_MPI)
#=========================================
-# cinfo.f stupid workaround for cmake
-# - shame on me ]:)
+# cinfo.f workaround for cmake
#=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-md compinfo.c)
-set_target_properties(compinfo-md PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS
- COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true
- DEPENDS compinfo-md )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get the current date
+TODAY(DATE)
+# generate cinfo.f
+
+set(CINFO "${CMAKE_CURRENT_BINARY_DIR}/cinfo.f")
+FILE(WRITE ${CINFO}
+"C CMake generated file
+ subroutine cinfo
+ include 'COMMON.IOUNITS'
+ write(iout,*)'++++ Compile info ++++'
+ write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+")
+
+CINFO_FORMAT(${CINFO} "Compiled" "${DATE}" )
+CINFO_FORMAT(${CINFO} "Compiled by" "$ENV{USER}@$ENV{HOST}" )
+CINFO_FORMAT(${CINFO} "OS name:" "${CMAKE_SYSTEM_NAME}" )
+CINFO_FORMAT(${CINFO} "OS release:" "${CMAKE_SYSTEM}" )
+CINFO_FORMAT(${CINFO} "Fortran Compiler:" "${CMAKE_Fortran_COMPILER}" )
+CINFO_FORMAT(${CINFO} "MD Force field:" "${UNRES_MD_FF}" )
+CINFO_FORMAT(${CINFO} "CPPFLAGS =" "${CPPFLAGS}")
+
+FILE(APPEND ${CINFO}
+" write(iout,*)'++++ End of compile info ++++'
+ return
+ end ")
+
+#FILE(APPEND ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+# CINFO_FORMAT(CPPFLAGS)
+#)
+# add include path
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}")
#=========================================
# Set full unres MD sources
#=========================================
-set(UNRES_MD_SRCS ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} ${UNRES_CINFO_DIR}/cinfo.f )
+set(UNRES_MD_SRCS ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
#=========================================
#========================================
set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
-#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#========================================
+# cinfo.f workaround for Cmake
+#========================================
+# get the current date
+TODAY(DATE)
+# generate cinfo.f
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+"C CMake generated file
+ subroutine cinfo
+ include 'COMMON.IOUNITS'
+ write(iout,*)'++++ Compile info ++++'
+ write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+ write(iout,*)'Compiled ${DATE}'
+ write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
+ write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
+ write(iout,*)'OS release: ${CMAKE_SYSTEM}'
+ write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
+ write(iout,*)'Version MINI energy and minimization only'
+ write(iout,*)'++++ End of compile info ++++'
+ return
+ end
+")
+# add include path
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}")
#=========================================
# Set full unres MIN sources
#=========================================
-set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES_MIN_SRC3} cinfo.f )
+set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES_MIN_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
#=========================================
# Build the binary
set(UNRES_WHAM_M_BIN "wham_${Fortran_COMPILER_NAME}.exe")
#=========================================
-# cinfo.f stupid workaround for cmake
-# - shame on me ]:)
+# cinfo.f workaround for CMake
#=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-wham-m compinfo.c)
-set_target_properties(compinfo-wham-m PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS
- COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true
- DEPENDS compinfo-wham-m )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get date
+TODAY(DATE)
+# getenerate cinfo.f
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+"C CMake generated file
+ subroutine cinfo
+ include 'COMMON.IOUNITS'
+ write(iout,*)'++++ Compile info ++++'
+ write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+ write(iout,*)'Compiled ${DATE}'
+ write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
+ write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
+ write(iout,*)'OS release: ${CMAKE_SYSTEM}'
+ write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
+ write(iout,*)'Force field: ${UNRES_MD_FF}'
+ write(iout,*)'++++ End of compile info ++++'
+ return
+ end
+")
+# set include paths
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}" )
#=========================================
# Set full unres CSA sources
#=========================================
-set(UNRES_WHAM_M_SRCS ${UNRES_WHAM_M_SRC0} ${UNRES_CINFO_DIR}/cinfo.f proc_proc.c)
+set(UNRES_WHAM_M_SRCS ${UNRES_WHAM_M_SRC0} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f proc_proc.c)
#=========================================
# Build the binary
set(UNRES_WHAM_BIN "wham_${Fortran_COMPILER_NAME}.exe")
#=========================================
-# cinfo.f stupid workaround for cmake
-# - shame on me ]:)
+# cinfo.f workaround for CMake
#=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-wham compinfo.c)
-set_target_properties(compinfo-wham PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
- COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS
- COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true
- DEPENDS compinfo-wham )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get current date
+TODAY(DATE)
+# generate cinfo.f
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+"C CMake generated file
+ subroutine cinfo
+ include 'COMMON.IOUNITS'
+ write(iout,*)'++++ Compile info ++++'
+ write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+ write(iout,*)'Compiled ${DATE}'
+ write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
+ write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
+ write(iout,*)'OS release: ${CMAKE_SYSTEM}'
+ write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
+ write(iout,*)'MD Force field: ${UNRES_MD_FF}'
+ write(iout,*)'++++ End of compile info ++++'
+ return
+ end
+")
+# set include path
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}" )
#=========================================
# Set full unres CSA sources
#=========================================
-set(UNRES_WHAM_SRCS ${UNRES_WHAM_SRC0} ${UNRES_CINFO_DIR}/cinfo.f proc_proc.c)
+set(UNRES_WHAM_SRCS ${UNRES_WHAM_SRC0} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f proc_proc.c)
#=========================================
# Build the binary