merge the squashed fcat branch:

commit 5fe025bb
Author: kamischi <karl-michael.schindler@web.de>
Date:   Fri Jan 20 13:52:32 2023 +0100

    Update Makefile

commit 05e876da
Author: kamischi <karl-michael.schindler@web.de>
Date:   Fri Jan 20 13:47:48 2023 +0100

    rename ...txt to ...f90

commit d5fc940f
Author: kamischi <karl-michael.schindler@web.de>
Date:   Fri Jan 20 13:44:09 2023 +0100

    Makefile: Update, fix & cleanup

commit f5531418
Author: kamischi <karl-michael.schindler@web.de>
Date:   Fri Jan 20 13:43:25 2023 +0100

    Fix boson program for fcat.

commit 3a0e45e9
Author: kamischi <karl-michael.schindler@web.de>
Date:   Fri Jan 13 17:52:54 2023 +0100

    commented source code added.

commit 8dfdeabf
Author: kamischi <karl-michael.schindler@web.de>
Date:   Fri Jan 13 17:08:23 2023 +0100

    Initial commit

    First tests works and a source code listing with number of execution for each line is obtained, but some more refinements, like automation and similar, are required.

source/f90/fcat-analysis/Makefile

+.SUFFIXES: .f90 .F90 .o
+
+# the fortran compiler
+FC = gfortran 
+
+# the options for the fortran compiler
+# FFLAGS = -fbounds-check
+# FFLAGS = -O3 -ff2c -gw
+FFLAGS = -g -gdwarf-2 -fbounds-check -fcheck=all
+# gfortran version 4.8 does not know -fdiagnostics-color
+# safeguard for major version >= 5
+GFORTAN_VERSION_GT_5 := $(shell echo `gcc -dumpversion | cut -f1 -d. ` \>= 5 | bc)
+ifeq "$(GFORTAN_VERSION_GT_5)" "1"
+	FFLAGS += -fdiagnostics-color=auto
+endif
+
+# fcat tool
+FCAT = fcat
+
+boson_all-fcat.f90: boson_all.f90
+	$(FCAT) -count boson_all.f90 > boson_all-fcat.f90
+bosonf90: boson_all-fcat.f90
+	$(FC) $(FFLAGS) -o bosonf90 boson_all-fcat.f90
+
+eels_all-fcat.f90: eels_all.f90
+	$(FCAT) -count eels_all.f90 > eels_all-fcat.f90
+eelsf90: eels_all-fcat.f90
+	$(FC) $(FFLAGS) -o eelsf90 eels_all-fcat.f90
+
+all: eelsf90 bosonf90
+	./eelsf90 > eelsf90_fcat_output
+	fcat -count  eels_all.f90  eelsf90_fcat_output  > eels_all.f90.fcat-analysis.f90
+	./bosonf90 > bosonf90_fcat_output
+	fcat -count  boson_all.f90 bosonf90_fcat_output > boson_all.f90.fcat-analysis.f90
+
+clean:
+	rm -f *.dSYM
+	rm -f *mod.mod
+	rm -f *_all-fcat.f90
+	rm -f bosonf90 bosonf90.exe
+	rm -f eelsf90  eelsf90.exe
+	rm -f eelsou bosou
+	rm -f *f90_fcat_output
+	rm -f *_all.f90.fcat-analysis.f90
+
+.PHONY: all clean
+

source/f90/fcat-analysis/bosin

+ 300.0      t
+  25.0      width
+   0.5      gauss
+   0.3      asym
+-500.0      emin
+1200.0      emax

source/f90/fcat-analysis/eelsin

+   4.0      E0                                                          ABTI0002
+  60.0      THETA                                                       ABTI0003
+   1.8      PHIA                                                        ABTI0004
+   1.8      PHIB                                                        ABTI0005
+  50.0      WMIN                                                        ABTI0006
+ 700.0      WMAX                                                        ABTI0007
+   2.0      DW                                                          ABTI0008
+WFW: MnO layer on metal
+                                                                        ABTI0010
+    2    1                                          No-layers  NPER No-periodic
+MnO            994.00D+00                           LAYER 1  name thickness
+    4.95      1                                              epsinf No-Osc.
+   269.0          16.000        5.00000E-02                  wto, Q, lambda
+Platinum      1000.00D+00                           LAYER 2             ABTI0012
+    8.90      1                                                         ABTI0013
+160000.0          -1            12.0000E-02                             ABTI0014