Update basic.jl to julia 1.10

- info replaced by @info JuliaLang/julia#24490 -linspace has been deprecated in favor of range with stop and length keyword arguments (#25896). JuliaLang/julia#25896
Bachibouzouk · Jul 22, 2024 · ee08458 · ee08458
1 parent 82f9086
commit ee08458
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Showing 10 changed files with 103 additions and 103 deletions.
diff --git a/examples/aimd_full/linear_xcf.jl b/examples/aimd_full/linear_xcf.jl
@@ -16,7 +16,7 @@ end
 function run(args)
 t0 = now()
 cfgf = args[1]
-info("Loading parameters from $(cfgf)")
+@info("Loading parameters from $(cfgf)")
 cfg = open(YAML.load, cfgf)
 states_fn = cfg["states_fn"]
 cf_fn = cfg["cf_fn"]
@@ -26,17 +26,17 @@ t2 = convert.(Float64, cfg["t2"])
 t3 = convert.(Float64, cfg["t3"])
 σ = cfg["sigma"]
 
-info("Loading energies from $states_fn")
+@info("Loading energies from $states_fn")
 states = readdlm(states_fn)
 energies = states[:,1]
 tdm = states[:,2]
-info("States count: $(size(states)[1])")
-info("Loading CF from $cf_fn")
+@info("States count: $(size(states)[1])")
+@info("Loading CF from $cf_fn")
 cfs = parse_cf(cf_fn)
-info("CF count: $(length(cfs))")
+@info("CF count: $(length(cfs))")
 
 # build system
-info("Building system...")
+@info("Building system...")
 t0_sys = now()
 s = System("G")
 #energy!(s, "G", 0)
@@ -57,9 +57,9 @@ for (i, j) in keys(cfs)
     lut = LineshapeLUT(t->(GriddedCF(cfs[i,j], dt)(t)+g_inhomo(t, ev2angphz(σ))), lut_grid)
     lineshape!(s, ti, tj, lut)
 end
-info("    Took $(now()-t0_sys)")
-info("Number of order 1 Hilbert Paths: $(length(collect(hilbert_paths(s, 1))))")
-info("Number of order 3 Hilbert Paths: $(length(collect(hilbert_paths(s, 3))))")
+@info("    Took $(now()-t0_sys)")
+@info("Number of order 1 Hilbert Paths: $(length(collect(hilbert_paths(s, 1))))")
+@info("Number of order 3 Hilbert Paths: $(length(collect(hilbert_paths(s, 3))))")
 
 grd_lin = TimeGrid(t1)
 
@@ -73,17 +73,17 @@ for p in hilbert_paths(s, 1)
     #writedlm(out_root*"_lin_$(p.p[2]).txt", [grid(grd_lin)[1] real(rlin) imag(rlin)])
     totlin += rlin
 end
-info("Saving to $(out_root)_rlin.txt")
+@info("Saving to $(out_root)_rlin.txt")
 writedlm("$(out_root)_rlin.txt", [grid(grd_lin)[1] real(totlin) imag(totlin)])
 
 totlin[1] *= 0.5
 s_lin = fftshift(ifft(totlin))
 f_lin = fftshift(fftfreq(size(grd_lin)[1], 1/(grd_lin.times[1][2]-grd_lin.times[1][1])))
-info("Saving linear spectrum to $(out_root)_slin.txt")
+@info("Saving linear spectrum to $(out_root)_slin.txt")
 writedlm("$(out_root)_slin.txt", [f_lin real(s_lin) imag(s_lin)])
 
-info("    Took $(now()-t0_calc)")
-info("Total runtime: $(now()-t0)")
+@info("    Took $(now()-t0_calc)")
+@info("Total runtime: $(now()-t0)")
 end # run
 
 run(ARGS)
diff --git a/examples/aimd_full/third_order_xcf.jl b/examples/aimd_full/third_order_xcf.jl
@@ -15,7 +15,7 @@ end
 function run(args)
 t0 = now()
 cfgf = args[1]
-info("Loading parameters from $(cfgf)")
+@info("Loading parameters from $(cfgf)")
 cfg = open(YAML.load, cfgf)
 root = cfg["rootname"]
 states_fn = cfg["states_fn"]
@@ -26,17 +26,17 @@ t2 = convert.(Float64, cfg["t2"])
 t3 = convert.(Float64, cfg["t3"])
 σ = cfg["sigma"]
 
-info("Loading energies from $states_fn")
+@info("Loading energies from $states_fn")
 states = readdlm(states_fn)
 energies = states[:,1]
 tdm = states[:,2]
-info("States count: $(size(states)[1])")
-info("Loading CF from $cf_fn")
+@info("States count: $(size(states)[1])")
+@info("Loading CF from $cf_fn")
 cfs = parse_cf(cf_fn)
-info("CF count: $(length(cfs))")
+@info("CF count: $(length(cfs))")
 
 # build system
-info("Building system...")
+@info("Building system...")
 t0_sys = now()
 s = System("G")
 frame = ev2angphz(cfg["e_frame"])
@@ -53,24 +53,24 @@ for (i, j) in keys(cfs)
     lut = LineshapeLUT(t->(GriddedCF(cfs[i,j], 1.0)(t)+g_inhomo(t, ev2angphz(σ))), lut_grid)
     lineshape!(s, ti, tj, lut)
 end
-info("    Took $(now()-t0_sys)")
-info("Number of order 1 Hilbert Paths: $(length(collect(hilbert_paths(s, 1))))")
-info("Number of order 3 Hilbert Paths: $(length(collect(hilbert_paths(s, 3))))")
+@info("    Took $(now()-t0_sys)")
+@info("Number of order 1 Hilbert Paths: $(length(collect(hilbert_paths(s, 1))))")
+@info("Number of order 3 Hilbert Paths: $(length(collect(hilbert_paths(s, 3))))")
 
-info("Preparing calculation of third order response")
+@info("Preparing calculation of third order response")
 grd_trd = TimeGrid(t1, t2, t3)
-info("Grid size: $(size(grd_trd))")
+@info("Grid size: $(size(grd_trd))")
 
 rr_fn = root*"_rr.bin"
 rn_fn = root*"_rn.bin"
-info("Saving rephasing to: $rr_fn")
-info("Saving nonrephasing to: $rr_fn")
+@info("Saving rephasing to: $rr_fn")
+@info("Saving nonrephasing to: $rr_fn")
 rr_out = open(rr_fn, "w+")
 rn_out = open(rn_fn, "w+")
 rr = Mmap.mmap(rr_out, Array{Complex128, 3}, size(grd_trd))
 rn = Mmap.mmap(rn_out, Array{Complex128, 3}, size(grd_trd))
 pm = Progress(4*length(collect(hilbert_paths(s, 3))))
-info("Computing third order response")
+@info("Computing third order response")
 t0_third = now()
 rr .+= R2(grd_trd, s, pm)
 rr .+= R3(grd_trd, s, pm)

diff --git a/examples/aimd_static/third_order_xc.jl b/examples/aimd_static/third_order_xc.jl
@@ -10,7 +10,7 @@ end
 function run(args)
 t0 = now()
 cfgf = args[1]
-info("Loading parameters from $(cfgf)")
+@info("Loading parameters from $(cfgf)")
 cfg = open(YAML.load, cfgf)
 states_fn = cfg["states_fn"]
 cf_fn = cfg["xcorr_fn"]
@@ -20,17 +20,17 @@ t2 = convert.(Float64, cfg["t2"])
 t3 = convert.(Float64, cfg["t3"])
 sigma = cfg["sigma"]
 
-info("Loading energies from $states_fn")
+@info("Loading energies from $states_fn")
 states = readdlm(states_fn)
 energies = states[:,1]
 tdm = states[:,2]
-info("States count: $(size(states)[1])")
-info("Loading correlation matrix from $cf_fn")
+@info("States count: $(size(states)[1])")
+@info("Loading correlation matrix from $cf_fn")
 corrm = parse_corr(cf_fn)
-info("Correlation count: $(length(corrm))")
+@info("Correlation count: $(length(corrm))")
 
 # build system
-info("Building system...")
+@info("Building system...")
 t0_sys = now()
 s = System("G")
 frame = ev2angphz(cfg["e_frame"])
@@ -54,13 +54,13 @@ for i=1:size(corrm)[1], j=1:size(corrm)[2]
     #end
     lineshape!(s, ti, tj, lut)
 end
-info("    Took $(now()-t0_sys)")
-info("Number of order 1 Hilbert Paths: $(length(collect(hilbert_paths(s, 1))))")
-info("Number of order 3 Hilbert Paths: $(length(collect(hilbert_paths(s, 3))))")
+@info("    Took $(now()-t0_sys)")
+@info("Number of order 1 Hilbert Paths: $(length(collect(hilbert_paths(s, 1))))")
+@info("Number of order 3 Hilbert Paths: $(length(collect(hilbert_paths(s, 3))))")
 
 grd_lin = TimeGrid(t1)
 
-info("Computing linear responses separately.")
+@info("Computing linear responses separately.")
 t0_calc = now()
 out_root = "$(splitext(basename(states_fn))[1])_$(splitext(basename(cf_fn))[1])"
 
@@ -70,12 +70,12 @@ for p in hilbert_paths(s, 1)
     rlin = linear(grd_lin, s, p)
     totlin += rlin
     out_lin = out_root*"_lin_"*join(p.p[2:end-1], "-")*".txt"
-    info("Saving linear to: $out_lin")
+    @info("Saving linear to: $out_lin")
     writedlm(out_lin, [grid(grd_lin)[1] real(rlin) imag(rlin)])
 end
 writedlm(out_root*"_lin_tot.txt", [grid(grd_lin)[1] real(totlin) imag(totlin)])
-info("    Took $(now()-t0_calc)")
-info("Preparing calculation of third order response")
+@info("    Took $(now()-t0_calc)")
+@info("Preparing calculation of third order response")
 grd_trd = TimeGrid(t1, t2, t3)
 info("Grid size: $(size(grd_trd))")
 

diff --git a/examples/basic/basic.jl b/examples/basic/basic.jl
@@ -9,7 +9,7 @@ import YAML   # import <module> requires adding the module name, ie: `YAML.load`
 function run(args)
 # Use a main 'run' function. This is not mandatory, but is required for performance.
 cfg_f = args[1] # index by 1, 1:2 translates to [1, 2], the first two elements
-info("Loading parameters from $cfg_f")
+@info("Loading parameters from $cfg_f")
 cfg = open(YAML.load, cfg_f)
 # load parameters
 # load parameters
@@ -27,39 +27,39 @@ t2_max = cfg["t2_max"]
 t3_max = cfg["t3_max"]
 
 # setup system
-info("Setting up system")
+@info("Setting up system")
 s = System("g")
 energy!(s, "a", ω_a - ω_frame) # use a rotating frame
 dipole!(s, "g", "a", 1.0)
 lineshape!(s, "a", "a", t->g_homo(t, γ)+g_inhomo(t, σ)) # use an anonymous function for the lineshape
 
 tg = TimeGrid(
-    linspace(0, t1_max, t1_n),
-    linspace(0, t2_max, t2_n),
-    linspace(0, t3_max, t3_n),
+    range(0, stop=t1_max, length=t1_n), # TODO previously linspace
+    range(0, stop=t2_max, length=t2_n),
+    range(0, stop=t3_max, length=t3_n),
 )
 
-info("Computing linear response")
+@info("Computing linear response")
 # compute linear
 r_lin = linear(tg, s)
-info("Saving to $(root)_rlin.txt")
+@info("Saving to $(root)_rlin.txt")
 writedlm("$(root)_rlin.txt", [tg.times[1] real(r_lin) imag(r_lin)])
 
 r_lin[1] *= 0.5 # first interval is a half-interval
 s_lin = fftshift(ifft(r_lin))
 f_lin = fftshift(fftfreq(size(tg)[1], 1/(tg.times[1][2]-tg.times[1][1])))
-info("Saving linear spectrum to $(root)_slin.txt")
+@info("Saving linear spectrum to $(root)_slin.txt")
 writedlm("$(root)_slin.txt", [f_lin real(s_lin) imag(s_lin)])
 
 # compute rephasing and non-rephasing separately: the spectra will overlap if
 # a fully rotating frame is used (ω_a == ω_frame)
-info("Computing third order response")
+@info("Computing third order response")
 rr = R2(tg, s) + R3(tg, s)
 rn = R1(tg, s) + R4(tg, s)
 
 # save multidimensional data in binary format.
 # Julia uses Fortran-contiguous arrays.
-info("Saving to $(root)_rr.bin, $(root)_rn.bin")
+@info("Saving to $(root)_rr.bin, $(root)_rn.bin")
 write("$(root)_rr.bin", rr)
 write("$(root)_rn.bin", rn)
 # first interval is a half-interval
@@ -79,11 +79,11 @@ else
     sa += flipdim(sr, 1)
 end # if-else blocks terminated by 'end'. This is true of all code blocks.
 
-info("Saving rephasing spectrum to $(root)_sr.bin")
+@info("Saving rephasing spectrum to $(root)_sr.bin")
 write("$(root)_sr.bin", sr)
-info("Saving non-rephasing spectrum to $(root)_sn.bin")
+@info("Saving non-rephasing spectrum to $(root)_sn.bin")
 write("$(root)_sn.bin", sn)
-info("Saving absorptive spectrum to $(root)_sa.bin")
+@info("Saving absorptive spectrum to $(root)_sa.bin")
 write("$(root)_sa.bin", sa)
 
 end # terminating the `function run` code block

diff --git a/examples/cohmap_electronic/diamond.jl b/examples/cohmap_electronic/diamond.jl
@@ -12,7 +12,7 @@ import YAML
 
 function run(args)
 cfg_f = args[1]
-info("Loading parameters from $cfg_f")
+@info("Loading parameters from $cfg_f")
 cfg = open(YAML.load, cfg_f)
 # load parameters
 root = cfg["rootname"]
@@ -37,7 +37,7 @@ t1_max = cfg["t1_max"]
 t2_max = cfg["t2_max"]
 t3_max = cfg["t3_max"]
 
-info("Setting up system")
+@info("Setting up system")
 s = System("g")
 energy!(s, "a", ωa)
 energy!(s, "b", ωb)
@@ -66,9 +66,9 @@ tg = TimeGrid(
     linspace(0, t3_max, t3_n),
 )
 
-info("Computing linear response")
+@info("Computing linear response")
 r_lin = linear(tg, s)
-info("Saving to $(root)_rlin.txt")
+@info("Saving to $(root)_rlin.txt")
 writedlm("$(root)_rlin.txt", [tg.times[1] real(r_lin) imag(r_lin)])
 
 r_lin[1] *= 0.5

diff --git a/examples/cohmap_vibrational/vibrational_ia.jl b/examples/cohmap_vibrational/vibrational_ia.jl
@@ -7,7 +7,7 @@ import YAML
 
 function run(args)
 cfg_f = args[1]
-info("Loading parameters from $cfg_f")
+@info("Loading parameters from $cfg_f")
 cfg = open(YAML.load, cfg_f)
 # load parameters
 root = cfg["rootname"]

diff --git a/examples/electronic/ecoh.jl b/examples/electronic/ecoh.jl
@@ -6,7 +6,7 @@ import YAML
 
 function run(args)
 cfg_f = args[1]
-info("Loading parameters from $cfg_f")
+@info("Loading parameters from $cfg_f")
 cfg = open(YAML.load, cfg_f)
 # load parameters
 root = cfg["rootname"]
@@ -28,7 +28,7 @@ t1_max = cfg["t1_max"]
 t2_max = cfg["t2_max"]
 t3_max = cfg["t3_max"]
 
-info("Setting up system")
+@info("Setting up system")
 s = System("g")
 for tag1 in ["A", "B"], tag2 in ["A", "B"]
     energy!(s, tag1, ev2angphz(cfg["e_$(tag1)"]) - ω_frame)
@@ -45,24 +45,24 @@ tg = TimeGrid(
     linspace(0, t3_max, t3_n),
 )
 
-info("Computing linear response")
+@info("Computing linear response")
 r_lin = linear(tg, s)
-info("Saving to $(root)_rlin.txt")
+@info("Saving to $(root)_rlin.txt")
 writedlm("$(root)_rlin.txt", [tg.times[1] real(r_lin) imag(r_lin)])
 
 r_lin[1] *= 0.5
 s_lin = fftshift(ifft(r_lin))
 f_lin = fftshift(fftfreq(size(tg)[1], 1/(tg.times[1][2]-tg.times[1][1])))
-info("Saving linear spectrum to $(root)_slin.txt")
+@info("Saving linear spectrum to $(root)_slin.txt")
 writedlm("$(root)_slin.txt", [f_lin real(s_lin) imag(s_lin)])
 
-info("Computing third order response")
+@info("Computing third order response")
 tic()
 rr = R2(tg, s) + R3(tg, s)
 rn = R1(tg, s) + R4(tg, s)
 dt = toq()
-info("Calulation took $(dt) s")
-info("Saving to $(root)_rr.bin, $(root)_rn.bin")
+@info("Calulation took $(dt) s")
+@info("Saving to $(root)_rr.bin, $(root)_rn.bin")
 write("$(root)_rr.bin", rr)
 write("$(root)_rn.bin", rn)
 rr[1,:,:] *= 0.5
@@ -79,11 +79,11 @@ else
     sa += flipdim(sr, 1)
 end
 
-info("Saving rephasing spectrum to $(root)_sr.bin")
+@info("Saving rephasing spectrum to $(root)_sr.bin")
 write("$(root)_sr.bin", sr)
-info("Saving non-rephasing spectrum to $(root)_sn.bin")
+@info("Saving non-rephasing spectrum to $(root)_sn.bin")
 write("$(root)_sn.bin", sn)
-info("Saving absorptive spectrum to $(root)_sa.bin")
+@info("Saving absorptive spectrum to $(root)_sa.bin")
 write("$(root)_sa.bin", sa)
 
 end # function main