updates to fileio

src/jobAPI.jl

@@ -15,6 +15,7 @@ function save(job::DFJob, local_dir=job.local_dir; kwargs...)
         @warn "Job had no name, changed it to: noname"
         job.name = "noname"
     end
+    maybe_register_job(job)
     maybe_increment_version(job)
     sanitize_magnetization!(job)
     sanitize_projections!(job)

src/qe/fileio.jl

@@ -125,6 +125,11 @@ function qe_read_pw_output(filename::String, T=Float64; cleanup = true)
                 #fermi energy
             elseif occursin("the Fermi energy is", line)
                 out[:fermi]        = parse(T, split(line)[5])
+            elseif occursin("up/dw Fermi energies are", line)
+                sline = split(line)
+                out[:fermi_up] = parse(T, sline[7])
+                out[:fermi_down] = parse(T, sline[8])
+                out[:fermi]      = min(out[:fermi_down], out[:fermi_up])
             elseif occursin("lowest unoccupied", line) && occursin("highest occupied", line)
                 sline = split(line)
                 high = parse(T, sline[7])

src/registry.jl

@@ -36,3 +36,4 @@ function maybe_register_job(abspath::String)
     end
     write_job_registry()
 end
+maybe_register_job(job::DFJob) = maybe_register_job(job.local_dir)

src/versioning.jl

@@ -29,11 +29,8 @@ function maybe_increment_version(job::DFJob)
         return
     else
         if ispath(joinpath(job, "job.tt"))
-            @show last_version(job)
             tjob = DFJob(job.local_dir, version = last_version(job)+1)
-            @show tjob.version
             vpath = version_path(tjob)
-            @show vpath
             mkpath(vpath)
             cp(job, vpath)
             job.version = last_version(job) + 1