diff --git a/source/f90/Makefile b/source/f90/Makefile
index 70f44d156dabdddcf54eb906a1e4a22a4dbdafb1..bc645ae458c376d62e5fc080c98ea93ec04365ab 100644
--- a/source/f90/Makefile
+++ b/source/f90/Makefile
@@ -4,7 +4,7 @@
FC = gfortran
# fortran compiler options
-FFLAGS = -g -gdwarf-2 -fbounds-check -fcheck=all -ffpe-trap=invalid -O0 -Wall
+FFLAGS = -g -gdwarf-2 -fbounds-check -fcheck=all -ffpe-trap=invalid -O1 -Wall -Jbuild
# -Wextra -Werror -Wpedantic
# gfortran version 4.8 does not know -fdiagnostics-color
# safeguard for major version >= 5
@@ -13,6 +13,8 @@ ifeq "$(GFORTAN_VERSION_GE_5)" "1"
FFLAGS += -fdiagnostics-color=auto
endif
+YAMLLIBS = -L/opt/local/lib -lyaml
+
# python3 interpreter
PYTHON3 = python3
@@ -20,65 +22,63 @@ PYTHON3 = python3
OS := $(shell echo `uname -s`)
# implicit rules for compiling fortran files
-%.o: %.f90 ; $(FC) $(FFLAGS) -c $<
-%_mod.mod: %.f90 ; $(FC) $(FFLAGS) -c $<
+build/%.o: %.f90 ; $(FC) $(FFLAGS) -c -o $@ $<
+build/%_mod.mod: %.f90 ; $(FC) $(FFLAGS) -c -o build/$*.o $<
+
+all: eels-boson
-all: boson eels eels-boson
+bosonmods = build/sicot_mod.mod build/sintr_mod.mod build/rcffi_mod.mod
+build/doboson.o: doboson.f90 $(bosonmods)
-bosonmods = sicot_mod.mod sintr_mod.mod rcffi_mod.mod
-doboson.o: doboson.f90 $(bosonmods)
+build/sicot_mod.mod: build/sintr_mod.mod
-sicot_mod.mod: sintr_mod.mod
+bosonsubs = build/doboson.o build/respon.o build/sicot.o build/sintr.o build/rcffi.o build/o.o
-bosonsubs = doboson.o respon.o sicot.o sintr.o rcffi.o o.o
-boson: boson.f90 change_working_dir.o $(bosonsubs) $(bosonmods)
- $(FC) $(FFLAGS) -o bosonf90 boson.f90 change_working_dir.o $(bosonsubs)
+eelsmods = build/quanc8_mod.mod build/queels_mod.mod build/seteps_mod.mod build/param_mod.mod build/oscillatorType_mod.mod
+build/doeels.o: doeels.f90 $(eelsmods)
-eelsmods = quanc8_mod.mod queels_mod.mod seteps_mod.mod param_mod.mod oscillatorType_mod.mod
-doeels.o: doeels.f90 $(eelsmods)
+build/queels_mod.mod: build/quanc8_mod.mod build/fint1_mod.mod build/fint2_mod.mod build/fint3_mod.mod
+build/quanc8_mod.mod: build/fun_mod.mod
+build/fint1_mod.mod: build/surlos_mod.mod build/param_mod.mod
+build/fint2_mod.mod: build/surlos_mod.mod build/param_mod.mod
+build/fint3_mod.mod: build/surlos_mod.mod build/param_mod.mod
+build/fun_mod.mod: build/param_mod.mod
+build/seteps_mod.mod: build/oscillatorType_mod.mod
-queels_mod.mod: quanc8_mod.mod fint1_mod.mod fint2_mod.mod fint3_mod.mod
-quanc8_mod.mod: fun_mod.mod
-fint1_mod.mod: surlos_mod.mod param_mod.mod
-fint2_mod.mod: surlos_mod.mod param_mod.mod
-fint3_mod.mod: surlos_mod.mod param_mod.mod
-fun_mod.mod: param_mod.mod
-seteps_mod.mod: oscillatorType_mod.mod
+yamlsubs = build/libyaml_interface.o build/fortran_yaml_c_interface.o build/fortran_yaml_c_types.o build/fortran_yaml_c.o
-getoptsubs = getopt.o text.o system.o constants.o date_and_time.o kinds.o dummy_variables.o
+getoptsubs = build/getopt.o build/text.o build/system.o build/constants.o build/date_and_time.o build/kinds.o build/dummy_variables.o
-getoptmods = sufr_getopt.mod sufr_text.mod sufr_system.mod sufr_constants.mod sufr_date_and_time.mod sufr_kinds.mod sufr_dummy.mod
+getoptmods = build/sufr_getopt.mod build/sufr_text.mod build/sufr_system.mod build/sufr_constants.mod build/sufr_date_and_time.mod build/sufr_kinds.mod build/sufr_dummy.mod
-sufr_getopt.mod: sufr_text.mod
- $(FC) $(FFLAGS) -ffree-line-length-180 -c -o getopt.o ../getopt-libs/libsufr-0.7.7/src/getopt.f90
+build/sufr_getopt.mod: build/sufr_text.mod
+ $(FC) $(FFLAGS) -ffree-line-length-180 -c -o build/getopt.o ../getopt-libs/libsufr-0.7.7/src/getopt.f90
-sufr_text.mod: sufr_system.mod
- $(FC) $(FFLAGS) -ffree-line-length-160 -c -o text.o ../getopt-libs/libsufr-0.7.7/src/text.f90
+build/sufr_text.mod: build/sufr_system.mod
+ $(FC) $(FFLAGS) -ffree-line-length-160 -c -o build/text.o ../getopt-libs/libsufr-0.7.7/src/text.f90
-sufr_system.mod: sufr_constants.mod sufr_dummy.mod
- $(FC) $(FFLAGS) -c -o system.o ../getopt-libs/libsufr-0.7.7/src/system.f90
+build/sufr_system.mod: build/sufr_constants.mod build/sufr_dummy.mod
+ $(FC) $(FFLAGS) -c -o build/system.o ../getopt-libs/libsufr-0.7.7/src/system.f90
-sufr_constants.mod: sufr_date_and_time.mod
- $(FC) $(FFLAGS) -ffree-line-length-256 -c -o constants.o ../getopt-libs/libsufr-0.7.7/src/constants.f90
+build/sufr_constants.mod: build/sufr_date_and_time.mod
+ $(FC) $(FFLAGS) -ffree-line-length-256 -c -o build/constants.o ../getopt-libs/libsufr-0.7.7/src/constants.f90
-sufr_date_and_time.mod: sufr_kinds.mod
- $(FC) $(FFLAGS) -ffree-line-length-150 -c -o date_and_time.o ../getopt-libs/libsufr-0.7.7/src/date_and_time.f90
+build/sufr_date_and_time.mod: build/sufr_kinds.mod
+ $(FC) $(FFLAGS) -ffree-line-length-150 -c -o build/date_and_time.o ../getopt-libs/libsufr-0.7.7/src/date_and_time.f90
-sufr_kinds.mod:
- $(FC) $(FFLAGS) -c -o kinds.o ../getopt-libs/libsufr-0.7.7/src/kinds.f90
+build/sufr_kinds.mod:
+ $(FC) $(FFLAGS) -c -o build/kinds.o ../getopt-libs/libsufr-0.7.7/src/kinds.f90
-sufr_dummy.mod:
- $(FC) $(FFLAGS) -c -o dummy_variables.o ../getopt-libs/libsufr-0.7.7/src/dummy_variables.f90
+build/sufr_dummy.mod:
+ $(FC) $(FFLAGS) -c -o build/dummy_variables.o ../getopt-libs/libsufr-0.7.7/src/dummy_variables.f90
-eelssubs = doeels.o usurlo.o quanc8.o fun.o queels.o fint1.o fint2.o fint3.o surlos.o seteps.o phint.o qrat.o param.o oscillatorType.o
-eels: eels.f90 change_working_dir.o $(eelssubs) $(eelsmods)
- $(FC) $(FFLAGS) -o eelsf90 eels.f90 change_working_dir.o $(eelssubs)
+build/get_commandline_options.o: get_commandline_options.f90 $(getoptmods) $(getoptsubs)
+ $(FC) $(FFLAGS) -c -o $@ get_commandline_options.f90
-get_commandline_options.o: get_commandline_options.f90 $(getoptmods) $(getoptsubs)
- $(FC) $(FFLAGS) -c -o get_commandline_options.o get_commandline_options.f90
+eelssubs = build/doeels.o build/usurlo.o build/quanc8.o build/fun.o build/queels.o build/fint1.o build/fint2.o build/fint3.o build/surlos.o build/seteps.o build/phint.o build/qrat.o build/param.o build/oscillatorType.o
-eels-boson: eels-boson.f90 get_commandline_options.o $(getoptsubs) $(getoptmods) $(eelssubs) $(eelsmods) $(bosonsubs) $(bosonmods)
- $(FC) $(FFLAGS) -o eels-boson eels-boson.f90 get_commandline_options.o $(getoptsubs) $(eelssubs) $(bosonsubs)
+eels-boson: eels-boson.f90 build/get_commandline_options.o $(getoptsubs) $(getoptmods) $(eelssubs) $(eelsmods) $(bosonsubs) $(bosonmods)
+ $(FC) $(FFLAGS) $(YAMLLIBS) -o build/$@ eels-boson.f90 build/get_commandline_options.o $(yamlsubs) $(getoptsubs) $(eelssubs) $(bosonsubs)
pylibs: doeels-py doboson-py
@@ -105,13 +105,9 @@ ifeq ( $(OS), Darwin )
endif
clean:
- rm -f *.o
- rm -rf *.dSYM
- rm -f *.mod
- rm -f *.so
- rm -f eelsou bosou
- rm -f bosonf90 bosonf90.exe
- rm -f eelsf90 eelsf90.exe
- rm -f eels-boson eels-boson.exe
+ rm -f build/*.o
+ rm -rf build/*.dSYM
+ rm -f build/*.mod
+ rm -f build/eels-boson build/eels-boson.exe
.PHONY: all clean coverage
diff --git a/source/f90/eels-boson.f90 b/source/f90/eels-boson.f90
index 778aa7db9cff9692582d2f4cf2b8098e6cb6243e..bc3265de3b1b68bac199c8d64037012d8f208a08 100644
--- a/source/f90/eels-boson.f90
+++ b/source/f90/eels-boson.f90
@@ -11,11 +11,17 @@ program eels_boson
use get_commandline_options_mod
use doeels_mod
use oscillator_mod
+ use fortran_yaml_c
implicit none
include 'version.inc'
+ type(YamlFile), target :: file
+ character(:), allocatable :: err
+
+ class(type_node), pointer :: root
+
double precision :: e0, theta, phia, phib, wmin, wmax, dw
integer :: i, j, jos, k, l, layers, neps, nper, nw
logical :: user
@@ -36,18 +42,23 @@ program eels_boson
logical :: debug
integer :: ioStatus
- character (len = :), allocatable :: eelsin_name, eelsou_name
- character (len = :), allocatable :: bosin_name, bosou_name
-
- ! the historic default names
- eelsin_name = 'eelsin'
- eelsou_name = ' ' ! eelsou is not needed
- bosin_name = 'bosin'
- bosou_name = 'bosou'
+ character (len = :), allocatable :: eelsin_name, bosonout_name
+
+ ! the default names
+ eelsin_name = 'eelsin.yaml'
+ bosonout_name = 'bosonout.txt'
- call get_commandline_options(eelsin_name, eelsou_name, bosin_name, bosou_name)
+ call get_commandline_options(eelsin_name, bosonout_name)
+
+ call file%parse(eelsin_name, err)
+ if (allocated(err)) then
+ print*,err
+ stop 1
+ endif
+
+ root => file%root
- ! *** read spectrometer parameters
+! *** read spectrometer parameters
open(unit = 11, file = eelsin_name)
! impact energy (ev)
read(11, *) e0
@@ -167,7 +178,7 @@ program eels_boson
layers, neps, nper, name, size(name), thick, epsinf, nos, oscType, osc, size(osc, 2),&
contrl, wn_array, debug, f, size(wn_array))
- open(unit = 13, file = bosin_name)
+ open(unit = 13, file = eelsin_name)
! target temperature (Kelvin)
read(13, *) t
! width of the instrumental response (cm**-1)
@@ -200,7 +211,7 @@ program eels_boson
wmin, wmax, nw, f, debug, xout, yout, nout)
comment(2) = comment(1)
- open(unit = 14, file = bosou_name)
+ open(unit = 14, file = bosonout_name)
write(14, '(a, f6.2, a, f5.1, a, f5.2, a, f5.2, a, f6.1, a, f5.2)') &
'e0 =', e0, ' theta =', theta, ' phia =', phia, ' phib =', phib, ' T =', t, ' GAUSS =', gauss
write(14, *) comment(2)
diff --git a/source/f90/get_commandline_options.f90 b/source/f90/get_commandline_options.f90
index e9977be96a19336c3dbf6636d20485f8b56650ce..ee59f1f51aba5608ebec7d58a94ea6249731e7ee 100644
--- a/source/f90/get_commandline_options.f90
+++ b/source/f90/get_commandline_options.f90
@@ -1,6 +1,6 @@
module get_commandline_options_mod
contains
-subroutine get_commandline_options(eelsin_name, eelsou_name, bosin_name, bosou_name)
+subroutine get_commandline_options(eelsin_name, bosonout_name)
! This routine defines the commandline options, parses the commandline and sets the
! filenames of I/O files.
@@ -13,8 +13,7 @@ subroutine get_commandline_options(eelsin_name, eelsou_name, bosin_name, bosou_n
implicit none
- character (len = :), allocatable, intent(in out) :: eelsin_name, eelsou_name
- character (len = :), allocatable, intent(in out) :: bosin_name, bosou_name
+ character (len = :), allocatable, intent(in out) :: eelsin_name, bosonout_name
include 'version.inc'
@@ -23,16 +22,14 @@ subroutine get_commandline_options(eelsin_name, eelsou_name, bosin_name, bosou_n
! Set up the longOpts struct to define the valid options:
! short option, long option, argument (no = 0 / yes = 1), short description
- type(getopt_t) :: longOpts(8) = &
- [ &
- getopt_t('v', 'version', 0, 'Print version'), &
- getopt_t('V', 'version', 0, 'Print version'), &
- getopt_t('h', 'help', 0, 'Print options'), &
- getopt_t('d', 'dir', 1, 'Change I/O directory'), &
- getopt_t('e', 'eelsin', 1, 'Name of EELS input file (eelsin)'), &
- getopt_t('f', 'eelsou', 1, 'Name of EELS output file (optional)'), &
- getopt_t('b', 'bosin', 1, 'Name of BOSON input file (bosin)'), &
- getopt_t('c', 'bosou', 1, 'Name of BOSON output file (bosou)') &
+ type(getopt_t) :: longOpts(6) = &
+ [ &
+ getopt_t('v', 'version', 0, 'Print version'), &
+ getopt_t('V', 'version', 0, 'Print version'), &
+ getopt_t('h', 'help', 0, 'Print options'), &
+ getopt_t('d', 'dir', 1, 'Change I/O directory'), &
+ getopt_t('e', 'eelsin', 1, 'Name of EELS input file (eelsin.yaml)'), &
+ getopt_t('b', 'bosonout', 1, 'Name of BOSON output file (bosonout.txt)') &
]
do ! scan all the command-line parameters
@@ -56,12 +53,8 @@ subroutine get_commandline_options(eelsin_name, eelsou_name, bosin_name, bosou_n
end if
case('e')
eelsin_name = optArg
- case('f')
- eelsou_name = optArg
case('b')
- bosin_name = optArg
- case('c')
- bosou_name = optArg
+ bosonout_name = optArg
case('v')
write (*,*) 'eels-boson version: ' // version
stop