Cleanup and fixes

Author: louisponet

docs/make.jl

@@ -40,18 +40,6 @@ using Documenter
 using Literate
 
 using UUIDs
-s = Server(name=gethostname(), port=8080, domain = "localhost", scheduler = Servers.Bash(), uuid = string(uuid4()), julia_exec=Sys.BINDIR * "/julia")
-if !exists(s)
-    Servers.initialize_config_dir(s)
-    save(s)
-else
-    s = Servers.local_server()
-end
-if !isalive(s)
-    @info "Starting server here"
-    Servers.initialize_config_dir(s)
-    @async DFC.Resource.run()
-end
 
 # Collect examples from the example index (src/index.md)
 # The chosen examples are taken from the examples/ folder to be processed by Literate
@@ -78,6 +66,43 @@ for (dir, directories, files) in walkdir(SRCPATH)
     end
 end
 
+using RemoteHPC: configure_local, julia_main
+import RemoteHPC: config_path
+if !isempty(literate_files)
+    
+    tconfdir = tempname()
+    if ispath(tconfdir)
+        rm(tconfdir; recursive = true)
+    end
+    config_path(p...) = joinpath(tconfdir, p...)
+
+    paths = ["jobs",
+         "logs/jobs",
+         "logs/runtimes",
+         "storage/servers",
+         "storage/execs",
+         "storage/environments"]
+         
+    for p in paths
+        mkpath(config_path(p))
+    end
+
+    redirect_stdin(devnull) do
+        redirect_stderr(devnull) do
+            redirect_stdout(devnull) do
+                configure_local(; interactive = false)
+                return t = @async julia_main()
+            end
+        end
+    end
+
+    while !isalive(local_server())
+        sleep(0.1)
+    end
+end
+
+
+
 # Run Literate on them all
 for file in literate_files
     # preprocess = file.example ? add_badges : identity

src/FileIO/wannier.jl

@@ -87,9 +87,9 @@ function wan_parse_calculation(file)
         contents = split(file, "\n")
     end
     lines = map(contents) do l
-        id = findfirst(isequal('!'), l)
+        id = findfirst(x->isequal('!',x) ||isequal('#',x) , l)
         if id !== nothing
-            l[1:id]
+            l[1:id-1]
         else
             l
         end
@@ -150,13 +150,12 @@ function wan_parse_calculation(file)
                     option = :ang
                 end
                 cell_param = Matrix{Float64}(undef, 3, 3)
-                for i in 1:3
-                    cell_param[i, :] = parse_line(Float64, line)
+                for j in 1:3
+                    cell_param[j, :] = parse_line(Float64, line)
                     i += 1
                     line = lines[i]
                 end
                 cell_block = InputData(:unit_cell_cart, option, Mat3(cell_param))
-                # line = readline(f)
 
             elseif block_name == :atoms_frac || block_name == :atoms_cart
                 i += 1
@@ -202,7 +201,6 @@ function wan_parse_calculation(file)
             end
         end
         i += 1
-        line = lines[i]
     end
     structure = extract_structure(cell_block, atoms_block, proj_block,
                                   get(flags, :spinors, false))

test/runtests.jl

@@ -1,8 +1,8 @@
 using DFControl, Test
 using RemoteHPC: configure_local, julia_main
 
-# tconfdir = tempname()
-tconfdir = "/tmp/remotehpc"
+# tconfdir = "/tmp/remotehpc"
+tconfdir = tempname()
 if ispath(tconfdir)
     rm(tconfdir; recursive = true)
 end