From 412bb832f23985da5e407632fd9238cc7837d992 Mon Sep 17 00:00:00 2001
From: jean paul nshuti <jnshuti@alambix-frontal.ipr.univ-rennes.fr>
Date: Wed, 8 Oct 2025 16:30:08 +0200
Subject: [PATCH] Add makefile related

---
 Makefile | 25 ++++++++-----------------
 1 file changed, 8 insertions(+), 17 deletions(-)

diff --git a/Makefile b/Makefile
index 090225b..c136bff 100644
--- a/Makefile
+++ b/Makefile
@@ -12,7 +12,7 @@ version=localdw-1.0
 #IFORT VERSION (DEFAULT)
 FC = ifort
 #MODERN IFORT VERSION (for compiling on laptops)
-FFLAGS =-O2 -qopenmp -qmkl -heap-arrays -module $(build) -cpp -g -diag-disable=10448  
+FFLAGS =-O2 -qopenmp -qmkl -heap-arrays -module $(build) -cpp -g -diag-disable=10448
 #-openmp -complex-limited-range -xW -i-static  -ip -ftz -no-prec-div  -opt-prefetch -heap-arrays -align dcommons -mkl -mcmodel=medium
 DBGFLAGS = -debug -check -check bounds #-warn uncalled -warn nousage -warn nounused -openmp -warn -warn notruncated_source
 DBGFLAGS+= -pg
@@ -44,6 +44,7 @@ VPATH += $(src)
 VPATH += $(src)parser
 VPATH += $(src)parser/lib
 VPATH += $(src)model
+#VPATH += $(src)model/PES
 ######################################################################
 
 #Define objects for different Program parts (sorted in order of compilation)
@@ -52,10 +53,8 @@ parser_obj = io_parameters.o accuracy_constants.o keys.o dim_parameter.o paramet
 
 datamodule_obj = data_module.o #Compile this module before your model files and the genetic files
 
-#model_obj = ptr_structure.o Potential_no3_5s_jcp2021_cart_corrected.o  surface_mod.o matrix_form.o  ctrans.o  model.o  weight.o adia.o
+model_obj = ptr_structure.o matrix_form.o  ctrans.o  model.o  weight.o adia.o
 
-#model_obj = ptr_structure.o Potential_no3_5s_jcp2021_cart_corrected.o select_monom_mod.o maik_ctrans.o surface_mod.o matrix_form.o  model.o  weight.o adia.o
-model_obj = ptr_structure.o  ctrans.o surface_mod.o matrix_form.o  model.o  weight.o adia.o
 
 mod_incl = mod_const.incl so_param.incl
 
@@ -66,20 +65,13 @@ genetic_obj = data_transform.o init.o write.o funcs.o marq.o lbfgsb.o idxsrt_mod
 objects = $(addprefix $(build), $(parserlib_obj) $(parser_obj) $(datamodule_obj) $(model_obj) $(genetic_obj) )
 
 
-#plot_dip_obj = $(addprefix $(build), io_parameters.o accuracy_constants.o dim_parameter.oi model.o)
 #Note: Since we are using modules, you have carefully choose the order of compilation and take dependencies between modules and subroutines into account!
 
 ######################################################################
-# Lib path to pes libray 
-PATH_PES = $(HOME)/Documents/work/NO3/NO3_PES/NO3_PES_FABIAN/
-PES_LIB = $(PATH_PES)libno3_pes_ffabian.a
 
-FFLAGS += -I$(PATH_PES)
-LDFLAGS = -L$(PATH_PES) -lno3_pes_ffabian
 # define main goal
 main = genetic
 
-
 main1 = plot_dipole 
 .PHONY: ifort gfortran
 
@@ -90,18 +82,16 @@ gfortran: override FC = $(GNUFC)
 gfortran: override FFLAGS = $(GNUFFLAGS)
 gfortran: $(main)
 
-$(main) : dirs $(random_obj) $(objects) $(PES_LIB)
-	$(FC) $(FFLAGS) $(random_obj) $(objects) $(LDFLAGS) -o $(bin)$(main)
-
-
+$(main) : dirs $(random_obj) $(objects) 
+	$(FC) $(FFLAGS) $(random_obj) $(objects) -o $(bin)$(main)
 
 parser.o : io_parameters.o keys.o dim_parameter.o parameterkeys.o parse_errors.o
 	$(FC) -c  $(FFLAGS) $^ -o $@
 
-$(build)%.o : %.f 
+$(build)%.o : %.f
 	$(FC) -c  $(FFLAGS) $^ -o $@
 
-$(build)%.o : %.f90 
+$(build)%.o : %.f90
 	$(FC) -c  $(FFLAGS) $^ -o $@
 
 $(model_obj) : $(mod_incl)
@@ -115,6 +105,7 @@ trash= *__genmod* $(addprefix $(build),*__genmod* *.mod *.o)
 clean:
 	$(RM) $(objects) $(trash)
 
+all: clean $(main) umb_genetic
 neat: clean
 	$(RM) $(random_obj)