make compiles everything

src/Generators_full/NEEDED_MODULES

@@ -1 +1,2 @@
-AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MonoInts MOs Nuclei Output Utils
+AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MOGuess MonoInts MOs Nuclei Output Utils
+

src/Hartree_Fock/SCF.irp.f

@@ -39,7 +39,6 @@ subroutine run
   thresh_SCF = 1.d-10
   call damping_SCF
   mo_label = "Canonical"
-  call mo_as_eigvectors_of_mo_matrix(Fock_matrix_mo,size(Fock_matrix_mo,1),size(Fock_matrix_mo,2),mo_label)
   TOUCH mo_label mo_coef
   call save_mos
   

src/Hartree_Fock/damping_SCF.irp.f

@@ -116,10 +116,12 @@ subroutine damping_SCF
   write(output_hartree_fock,'(A4,X,A16, X, A16, X, A16, X, A4 )'), '====','================','================','================', '===='
   write(output_hartree_fock,*)
   
-  call write_double(output_hartree_fock, HF_energy, 'Hartree-Fock energy')
-  call write_time(output_hartree_fock)
+  call mo_as_eigvectors_of_mo_matrix(Fock_matrix_mo,size(Fock_matrix_mo,1),size(Fock_matrix_mo,2),mo_label)
 
+  call write_double(output_hartree_fock, HF_energy, 'Hartree-Fock energy')
   call ezfio_set_hartree_fock_energy(HF_energy)
 
+  call write_time(output_hartree_fock)
+
   deallocate(D_alpha,D_beta,F_new,D_new_alpha,D_new_beta,delta_alpha,delta_beta)
 end

src/Makefile

@@ -3,23 +3,24 @@ default: all
 SRC=
 OBJ=
 
-include $(QPACKAGE_ROOT)/src/Makefile.common
+ALL_MODULES=$(shell cat NEEDED_MODULES)
 
-.PHONY: executables
+.PHONY: executables all all_clean $(ALL_MODULES)
 
-all: all_modules
+all: $(ALL_MODULES)
 
 all_clean:
-	@for i in $(NEEDED_MODULES) ; do cd $$i ; make veryclean ; make clean_links ; cd .. ; done
+	@for i in $(ALL_MODULES) ; do cd $$i ; make veryclean ; make clean_links ; cd .. ; done
 
-all_modules: $(NEEDED_MODULES)
+$(ALL_MODULES): FORCE
+	cd $@ ; $(MAKE) 
 
-$(NEEDED_MODULES): FORCE
-	@cd $@ ; unset NEEDED_MODULES INCLUDE_DIRS ; make 
-
-executables:
+executables: $(ALL_MODULES)
 	rm -f executables ; \
 	for EXE in $$(find $(QPACKAGE_ROOT)/src -perm /u+x -type f | grep -e "$(QPACKAGE_ROOT)/src/[^/]*/[^/]*$$" |sort ) ; \
 	  do printf "%-30s %s\n" $$(basename $$EXE) $$EXE | sed "s|$(QPACKAGE_ROOT)|\$$QPACKAGE_ROOT|g" >> executables ;\
 	done
 
+# Dummy rule to enable to force recompilation
+FORCE:
+

src/Makefile.common

@@ -140,7 +140,9 @@ irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp
 Makefile.depend: Makefile
 	$(QPACKAGE_ROOT)/scripts/create_Makefile_depend.sh
 
+ifneq ( $(PWD), $($(QPACKAGE_ROOT)/src))
 include irpf90.make
+endif
 
 # Check that there is no file named test.irp.f
 ifeq (test.irp.f, $(wildcard test.irp.f))

src/NEEDED_MODULES

@@ -1,2 +1,3 @@
-AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MOGuess Molden MonoInts MOs Nuclei Output Perturbation Primitive_basis Selectors_full Utils
+AOs BiInts Bitmask Dets Electrons Ezfio_files Full_CI Generators_full Hartree_Fock MOGuess MonoInts MOs Nuclei Output Selectors_full Utils
+
 

src/Perturbation/NEEDED_MODULES

@@ -1 +1,2 @@
-AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MonoInts MOs Nuclei Output Utils 
+AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MOGuess MonoInts MOs Nuclei Output Utils
+

src/Selectors_full/NEEDED_MODULES

@@ -1 +1,2 @@
-AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MonoInts MOs Nuclei Output Utils
+AOs BiInts Bitmask Dets Electrons Ezfio_files Hartree_Fock MOGuess MonoInts MOs Nuclei Output Utils
+