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makefile
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#=================================================================================
#=================================================================================
# Compiler?
#Possible values: (Empty: gfortran)
# gfortran (version: 9.0 linux and osx)
# F90 = mpifort
FC = gfortran
#
# Optimize? Empty: default No optimization; 0: No Optimization; 1 Optimzation
OPT = 1
## OpenMP? Empty: default with OpenMP; 0: No OpenMP; 1 with OpenMP
OMP = 1
## Lapack/blas/mkl? Empty: default with Lapack; 0: without Lapack; 1 with Lapack
LAPACK = 1
## force the default integer (without kind) during the compillation.
## default 4: , INT=8 (for kind=8)
INT = 4
#
## extension for the "sub_system." file. Possible values: f; f90
extf = f90
## how to get external libraries; "loc" (default): from local zip file, Empty or something else (v0.5): from github
EXTLIB_TYPE = loc
## c compiler for the cDriver
#CompC = gcc
CompC := gcc-14
#=================================================================================
#=================================================================================
ifeq ($(FC),)
FFC := gfortran
else
FFC := $(FC)
endif
ifeq ($(OPT),)
OOPT := 1
else
OOPT := $(OPT)
endif
ifeq ($(OMP),)
OOMP := 1
else
OOMP := $(OMP)
endif
ifeq ($(LAPACK),)
LLAPACK := 1
else
LLAPACK := $(LAPACK)
endif
#===============================================================================
# setup for mpifort
ifeq ($(FFC),mpifort)
## MPI compiled with: gfortran or ifort
MPICORE := $(shell ompi_info | grep 'Fort compiler:' | awk '{print $3}')
OOMP = 0
endif
#===============================================================================
#
# Operating system, OS? automatic using uname:
OS :=$(shell uname)
# about EVRT, path, versions ...:
MAIN_path:=$(shell pwd)
TNUM_ver:=$(shell awk '/Tnum/ {print $$3}' $(MAIN_path)/version-TT)
TANA_ver:=$(shell awk '/Tana/ {print $$3}' $(MAIN_path)/version-TT)
# Extension for the object directory and the library
ext_obj:=_$(FFC)_opt$(OOPT)_omp$(OOMP)_lapack$(LLAPACK)_int$(INT)
ifeq ($(FFC),mpifort)
extlibwi_obj:=_$(FFC)_$(MPICORE)_opt$(OOPT)_omp$(OOMP)_lapack$(LLAPACK)_int$(INT)
else
extlibwi_obj:=$(ext_obj)
endif
OBJ_DIR = obj/obj$(extlibwi_obj)
$(info ***********OBJ_DIR: $(OBJ_DIR))
$(shell [ -d $(OBJ_DIR) ] || mkdir -p $(OBJ_DIR))
MOD_DIR=$(OBJ_DIR)
#
# library name
LIBA=libTnum-Tana$(extlibwi_obj).a
LIBAF=libTnumTanaFull$(extlibwi_obj).a
#=================================================================================
#
#===============================================================================
# external lib : QDUtilLib AD_dnSVM ConstPhys QuantumModelLib nDindex EVRT_dnSVM FOR_EVRT
ifeq ($(ExtLibDIR),)
ExtLibDIR := $(MAIN_path)/Ext_Lib
endif
$(shell [ -d $(ExtLibDIR) ] || (echo $(ExtLibDIR) "does not exist" ; exit 1))
QD_DIR = $(ExtLibDIR)/QDUtilLib
QDMOD_DIR = $(QD_DIR)/OBJ/obj$(ext_obj)
QDLIBA = $(QD_DIR)/libQD$(ext_obj).a
AD_DIR = $(ExtLibDIR)/AD_dnSVM
ADMOD_DIR = $(AD_DIR)/OBJ/obj$(ext_obj)
ADLIBA = $(AD_DIR)/libAD_dnSVM$(ext_obj).a
CONSTPHYS_DIR = $(ExtLibDIR)/ConstPhys
CONSTPHYSMOD_DIR = $(CONSTPHYS_DIR)/obj/obj$(extlibwi_obj)
CONSTPHYSLIBA = $(CONSTPHYS_DIR)/libPhysConst$(extlibwi_obj).a
QML_DIR = $(ExtLibDIR)/QuantumModelLib
QMLMOD_DIR = $(QML_DIR)/OBJ/obj$(ext_obj)
QMLLIBA = $(QML_DIR)/libQMLib$(ext_obj).a
nDindex_DIR = $(ExtLibDIR)/nDindex
nDindexMOD_DIR = $(nDindex_DIR)/obj/obj$(ext_obj)
nDindexLIBA = $(nDindex_DIR)/libnDindex$(ext_obj).a
EVRTdnSVM_DIR = $(ExtLibDIR)/EVRT_dnSVM
EVRTdnSVMMOD_DIR = $(EVRTdnSVM_DIR)/obj/obj$(ext_obj)
EVRTdnSVMLIBA = $(EVRTdnSVM_DIR)/libEVRT_dnSVM$(ext_obj).a
FOREVRT_DIR = $(ExtLibDIR)/FOR_EVRT
FOREVRTMOD_DIR = $(FOREVRT_DIR)/obj/obj$(extlibwi_obj)
FOREVRTLIBA = $(FOREVRT_DIR)/libFOR_EVRT$(extlibwi_obj).a
EXTLib = $(FOREVRTLIBA) $(CONSTPHYSLIBA) $(EVRTdnSVMLIBA) $(nDindexLIBA) $(QMLLIBA) $(ADLIBA) $(QDLIBA)
EXTMod = -I$(CONSTPHYSMOD_DIR) -I$(FOREVRTMOD_DIR) -I$(nDindexMOD_DIR) \
-I$(EVRTdnSVMMOD_DIR) -I$(QMLMOD_DIR) -I$(ADMOD_DIR) -I$(QDMOD_DIR)
#===============================================================================
#
#=================================================================================
# To deal with external compilers.mk file
CompilersDIR = $(MAIN_path)
ifeq ($(CompilersDIR),)
include compilers.mk
else
include $(CompilersDIR)/compilers.mk
endif
# cpp preprocessing
FFLAGS += -D__COMPILE_DATE="\"$(shell date +"%a %e %b %Y - %H:%M:%S")\"" \
-D__COMPILE_HOST="\"$(shell hostname -s)\"" \
-D__TNUM_VER="'$(TNUM_ver)'" \
-D__TANA_VER="'$(TANA_ver)'"
#===============================================================================
#===============================================================================
$(info ************************************************************************)
$(info ***********OS: $(OS))
$(info ***********COMPILER: $(FFC))
$(info ***********OPTIMIZATION: $(OOPT))
$(info ***********COMPILER VERSION: $(FC_VER))
ifeq ($(FFC),mpifort)
$(info ***********COMPILED with: $(MPICORE))
endif
$(info *********c-COMPILER: $(CompC))
$(info ***********OpenMP: $(OOMP))
$(info ***********Lapack: $(LLAPACK))
$(info ***********FFLAGS0: $(FFLAGS0))
$(info ***********FLIB: $(FLIB))
$(info ************************************************************************)
$(info ************************************************************************)
$(info ***************** TNUM_ver: $(TNUM_ver))
$(info ***************** TANA_ver: $(TANA_ver))
$(info ************************************************************************)
$(info ************************************************************************)
#==========================================
VPATH = APP APP/cDriver APP/FDriver \
SRC/Source_PrimOperator SRC/sub_pot \
SRC/Source_TnumTana_Coord SRC/Source_TnumTana_Coord/Qtransfo \
SRC/Source_TnumTana_Coord/QtransfoOOP SRC/Source_TnumTana_Coord/Tana \
SRC/Source_TnumTana_Coord/Tnum SRC/sub_operator_T
# special files
Coord_KEO_EXT_SRCFILES = calc_f2_f1Q.f90 Sub_X_TO_Q_ana.f90 Calc_Tab_dnQflex.f90 sub_system.f90 \
Module_ForTnumTana_Driver.f90 TnumTana_Lib.f90
Coord_KEO_EXT_SRCFILES_OBJ0 = ${Coord_KEO_EXT_SRCFILES:.f90=.o}
Coord_KEO_EXT_SRCFILES_OBJ = $(addprefix $(OBJ_DIR)/, $(Coord_KEO_EXT_SRCFILES_OBJ0))
$(info ************ Coord_KEO_EXT_SRCFILES_OBJ: $(Coord_KEO_EXT_SRCFILES_OBJ))
#fortran files:
include fortranlist.mk
Coord_KEO_SRCFILES = $(SRCFILES)
$(info ************ Coord_KEO_SRCFILES: $(Coord_KEO_SRCFILES))
OBJ0=${SRCFILES:.f90=.o}
OBJ=$(addprefix $(OBJ_DIR)/, $(OBJ0))
$(info ************ OBJ: $(OBJ))
#
#===============================================
#============= Several mains ===================
#===============================================
#
# normal Tnum-Tana
#
TNUMEXE = Tnum90.exe
TNUMMAIN = Tnum90
.PHONY: tnum Tnum tnum-dist Tnum-dist
tnum Tnum tnum-dist Tnum-dist: $(TNUMEXE)
@echo "Tnum OK"
$(TNUMEXE): $(OBJ_DIR)/$(TNUMMAIN).o $(LIBAF)
$(FFC) $(FFLAGS) -o $(TNUMEXE) $(OBJ_DIR)/$(TNUMMAIN).o $(LIBAF) $(FLIB)
#
TNUMOOPEXE = Tnum_OOP.exe
TNUMOOPMAIN = Tnum_OOP
.PHONY: tnumoop oop OOP
tnumoop OOP oop: $(TNUMOOPEXE)
@echo "TnumOOP OK"
$(TNUMOOPEXE): $(OBJ_DIR)/$(TNUMOOPMAIN).o $(LIBAF)
$(FFC) $(FFLAGS) -o $(TNUMOOPEXE) $(OBJ_DIR)/$(TNUMOOPMAIN).o $(LIBAF) $(FLIB)
#
# Drivers (c and f90)
#
Main_TnumTana_FDriverEXE=Main_TnumTana_FDriver.exe
Main_TnumTana_FDriver =Main_TnumTana_FDriver
Main_TnumTana_cDriverEXE=Main_TnumTana_cDriver.exe
Main_TnumTana_cDriver =Main_TnumTana_cDriver
.PHONY: Tnum_FDriver Tnum_cDriver cDriver FDriver
FDriver Tnum_FDriver: $(Main_TnumTana_FDriverEXE)
@echo "Main_TnumTana_FDriver OK"
cDriver Tnum_cDriver: $(Main_TnumTana_cDriverEXE)
@echo "Main_TnumTana_cDriver OK"
$(Main_TnumTana_cDriverEXE): $(OBJ_DIR)/$(Main_TnumTana_cDriver).o $(LIBAF)
$(CompC) $(CFLAGS) -o $(Main_TnumTana_cDriverEXE) $(OBJ_DIR)/$(Main_TnumTana_cDriver).o $(LIBAF) $(FLIB) -lgfortran -lm
$(Main_TnumTana_FDriverEXE): $(OBJ_DIR)/$(Main_TnumTana_FDriver).o $(LIBAF)
$(FFC) $(FFLAGS) -o $(Main_TnumTana_FDriverEXE) $(OBJ_DIR)/$(Main_TnumTana_FDriver).o $(LIBAF) $(FLIB)
#
# MCTDH Tnum-Tana
#
TNUMMCTDHEXE = Tnum90_MCTDH.exe
TNUMMCTDHMAIN = Tnum90_MCTDH
.PHONY: Tnum_MCTDH
Tnum_MCTDH: $(TNUMMCTDHEXE)
@echo "Tnum_MCTDH OK"
#
$(TNUMMCTDHEXE): $(OBJ_DIR)/$(TNUMMCTDHMAIN).o $(LIBAF)
$(FFC) $(FFLAGS) -o $(TNUMMCTDHEXE) $(OBJ_DIR)/$(TNUMMCTDHMAIN).o $(LIBAF) $(FLIB)
#
# Midas Tnum-Tana
#
TNUM_MiddasCppEXE = Tnum90_MidasCpp.exe
TNUM_MiddasCppMAIN = Tnum90_MidasCpp
.PHONY: Tnum_MidasCpp Midas midas
Tnum_MidasCpp Midas midas: $(TNUM_MiddasCppEXE)
@echo "Tnum_MidasCpp OK"
#
$(TNUM_MiddasCppEXE): $(OBJ_DIR)/$(TNUM_MiddasCppMAIN).o $(LIBAF)
$(FFC) $(FFLAGS) -o $(TNUM_MiddasCppEXE) $(OBJ_DIR)/$(TNUM_MiddasCppMAIN).o $(LIBAF) $(FLIB)
#
.PHONY: all
all: lib Tnum-dist Tnum_MCTDH Tnum_MidasCpp Tnum_FDriver Tnum_cDriver
@echo "All executables"
#===============================================
#===============================================
#============= TESTS ===========================
#===============================================
#
.PHONY: ut UT_Tnum ut_Tnum UT_tnum ut_tnum
ut UT_Tnum ut_Tnum UT_tnum ut_tnum: Tnum
@echo "---------------------------------------"
@echo "Unitary tests for the Tnum"
@cd TESTS ; ./run_tests_WithoutComp
@echo "---------------------------------------"
#===============================================
#============= Library: lib_FOR_EVRT.a ========
#===============================================
OBJext=$(shell ls $(CONSTPHYSMOD_DIR)/*.o $(FOREVRTMOD_DIR)/*.o $(nDindexMOD_DIR)/*o $(EVRTdnSVMMOD_DIR)/*.o \
$(QMLMOD_DIR)/*.o $(ADMOD_DIR)/*.o $(QDMOD_DIR)/*.o)
#$(info ***********OBJext: $(OBJext))
.PHONY: lib
lib: $(LIBA) $(LIBAF)
$(LIBA): $(OBJ)
ar -cr $(LIBA) $(OBJ)
@echo " done Library: "$(LIBA)
$(LIBAF):
@#ls -la $(CONSTPHYSMOD_DIR)/*.o $(FOREVRTMOD_DIR)/*.o $(nDindexMOD_DIR)/*o $(EVRTdnSVMMOD_DIR)/*.o $(QMLMOD_DIR)/*.o $(ADMOD_DIR)/*.o $(QDMOD_DIR)/*.o
ar -cr $(LIBAF) $(OBJ) $(Coord_KEO_EXT_SRCFILES_OBJ) $(OBJext)
rm -f libTnumTanaFull.a
ln -s $(LIBAF) libTnumTanaFull.a
@echo " done Library: "$(LIBAF)
#===============================================
#============= compilation =====================
#===============================================
$(OBJ_DIR)/%.o: %.f90
@echo " compile: " $<
$(FFC) $(FFLAGS) -o $@ -c $<
$(OBJ_DIR)/%.o: %.f
@echo " compile: " $<
$(FFC) $(FFLAGS) -o $@ -c $<
#
$(OBJ_DIR)/%.o: %.c
@echo " compile: " $<
$(CompC) $(CFLAGS) -o $@ -c $<
#
#===============================================
#============= make sub_system =================
#============= with the .f or .f90 extention ==
#===============================================
SRC/sub_pot/sub_system.$(extf): SRC_NotUsed/sub_pot/sub_system_save.$(extf)
cp SRC_NotUsed/sub_pot/sub_system_save.$(extf) SRC/sub_pot/sub_system.$(extf)
#===============================================
#===============================================
#
#===============================================
#===============================================
#
#================ cleaning =====================
.PHONY: clean cleanall
clean:
rm -f $(OBJ_DIR)/*.o
rm -f *.log
# rm -f SRC/sub_pot/sub_system.f SRC/sub_pot/sub_system.f90
rm -f TEST*.x
@echo " done cleaning"
cleanall : clean clean_extlib
rm -fr obj/* build
rm -f lib*.a
rm -f *.exe
cd TESTS ; ./clean
@echo " done all cleaning"
#===============================================
#================ zip and copy the directory ===
ExtLibSAVEDIR := /Users/lauvergn/git/Ext_Lib
BaseName := Tnum-Tana
.PHONY: zip
zip: cleanall
test -d $(ExtLibSAVEDIR) || (echo $(ExtLibDIR) "does not exist" ; exit 1)
$(ExtLibSAVEDIR)/makezip.sh $(BaseName)
cd $(ExtLibSAVEDIR) ; cp_Tnum-Tana.sh
@echo " done zip"
#===============================================
#=== external libraries ========================
# QDUtilLib AD_dnSVM ConstPhys QuantumModelLib nDindex EVRT_dnSVM FOR_EVRT
#===============================================
#
DEV=
.PHONY: getlib
getlib:
cd $(ExtLibDIR) ; ./get_Lib.sh QDUtilLib $(DEV)
cd $(ExtLibDIR) ; ./get_Lib.sh AD_dnSVM $(DEV)
cd $(ExtLibDIR) ; ./get_Lib.sh ConstPhys $(DEV)
cd $(ExtLibDIR) ; ./get_Lib.sh QuantumModelLib $(DEV)
cd $(ExtLibDIR) ; ./get_Lib.sh nDindex $(DEV)
cd $(ExtLibDIR) ; ./get_Lib.sh EVRT_dnSVM $(DEV)
cd $(ExtLibDIR) ; ./get_Lib.sh FOR_EVRT $(DEV)
#
$(QDLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh QDUtilLib $(DEV)
cd $(ExtLibDIR)/QDUtilLib ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(QDLIBA) || (echo $(QDLIBA) "does not exist" ; exit 1)
@echo " done " $(QDLIBA) " in "$(BaseName)
#
$(ADLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh AD_dnSVM $(DEV)
cd $(ExtLibDIR)/AD_dnSVM ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(ADLIBA) || (echo $(ADLIBA) "does not exist" ; exit 1)
@echo " done " $(ADLIBA) " in "$(BaseName)
#
$(CONSTPHYSLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh ConstPhys $(DEV)
cd $(ExtLibDIR)/ConstPhys ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(CONSTPHYSLIBA) || (echo $(CONSTPHYSLIBA) "does not exist" ; exit 1)
@echo " done " $(CONSTPHYSLIBA) " in "$(BaseName)
#
$(QMLLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh QuantumModelLib $(DEV)
cd $(ExtLibDIR)/QuantumModelLib ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(QMLLIBA) || (echo $(QMLLIBA) "does not exist" ; exit 1)
@echo " done " $(QMLLIBA) " in "$(BaseName)
#
$(nDindexLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh nDindex $(DEV)
cd $(ExtLibDIR)/nDindex ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(nDindexLIBA) || (echo $(nDindexLIBA) "does not exist" ; exit 1)
@echo " done " $(nDindexLIBA) " in "$(BaseName)
#
$(EVRTdnSVMLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh EVRT_dnSVM $(DEV)
cd $(ExtLibDIR)/EVRT_dnSVM ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(EVRTdnSVMLIBA) || (echo $(EVRTdnSVMLIBA) "does not exist" ; exit 1)
@echo " done " $(EVRTdnSVMLIBA) " in "$(BaseName)
#
$(FOREVRTLIBA):
cd $(ExtLibDIR) ; ./get_Lib.sh FOR_EVRT $(DEV)
cd $(ExtLibDIR)/FOR_EVRT ; make lib FC=$(FFC) OPT=$(OOPT) OMP=$(OOMP) LAPACK=$(LLAPACK) INT=$(INT) ExtLibDIR=$(ExtLibDIR) CompilersDIR=$(CompilersDIR)
@test -f $(FOREVRTLIBA) || (echo $(FOREVRTLIBA) "does not exist" ; exit 1)
@echo " done " $(FOREVRTLIBA) " in "$(BaseName)
##
.PHONY: clean_extlib
clean_extlib:
echo cleanlib, DIR=$(ExtLibDIR)
cd $(ExtLibDIR) ; ./cleanlib
#
#=======================================================================================
.PHONY: fpm
fpm: getlib
#=======================================================================================
#=======================================================================================
#add dependencies
$(OBJ): | $(EXTLib)
#===============================================
#===============================================
#============= make dependencies =============
#===============================================
.PHONY: dep
dependencies.mk fortranlist.mk dep:
./scripts/dependency.sh
#===============================================
include ./dependencies.mk
$(LIBA): $(OBJ)
$(LIBAF): $(LIBA) $(Coord_KEO_EXT_SRCFILES_OBJ)
$(OBJ_DIR)/$(TNUMMAIN).o: $(LIBA) | $(EXTLib)
$(OBJ_DIR)/$(TNUMOOPMAIN).o: $(LIBA) | $(EXTLib)
$(OBJ_DIR)/$(TNUMMCTDHMAIN).o: $(LIBA) | $(EXTLib)
$(OBJ_DIR)/$(TNUM_MiddasCppMAIN).o: $(LIBA) | $(EXTLib)
$(OBJ_DIR)/$(Main_TnumTana_FDriver).o: $(LIBA) | $(EXTLib)
$(OBJ_DIR)/$(Main_TnumTana_cDriver).o: $(LIBA) | $(EXTLib)