Removed core

ocaml/Command_line.ml

@@ -12,12 +12,22 @@ type description   = {
   arg  : argument ;
   }
 
+(* Mutable variables *)
 let anon_args  = ref []
 and header_doc = ref ""
 and description_doc = ref ""
 and footer_doc = ref ""
 and specs      = ref []
 
+let reset () = 
+    anon_args  := [];
+    header_doc := "";
+    description_doc := "";
+    footer_doc := "";
+    specs      := []
+
+(* End mutable variables *)
+
 let set_header_doc s = header_doc := s
 let set_description_doc s = description_doc := s
 let set_footer_doc s = footer_doc := s

ocaml/Command_line.mli

@@ -124,3 +124,6 @@ val set_specs : description list -> unit
 val anon_args : unit -> string list
 
 
+(** Reset the internal state *)
+val reset : unit -> unit
+

ocaml/Makefile

@@ -24,6 +24,8 @@ ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml)) qmcchem.native
 
 
 default: $(ALL_EXE) 
+	mv qmcchem.native $(QMCCHEM_PATH)/bin/qmcchem
+
 tests: $(ALL_TESTS) 
 
 

ocaml/Qmcchem_debug.ml

@@ -62,7 +62,7 @@ let run ~t ezfio_filename=
 
 
 
-let () =
+let command () =
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/Qmcchem_edit.ml

@@ -274,7 +274,7 @@ let run ~c ?f ?t ?l ?m ?e ?et ?s ?ts ?w ?wt ?n ?j ?p ?input ezfio_filename =
   write_input_in_ezfio ezfio_filename fields
 
 
-let () = 
+let command () = 
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/Qmcchem_info.ml

@@ -12,7 +12,7 @@ let run ezfio_filename =
   ignore @@
     Unix.execv prog argv 
 
-let () =
+let command () =
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/Qmcchem_md5.ml

@@ -120,7 +120,7 @@ let run ?c ?d ~l ~update ezfio_filename =
   | _ -> handle_options ()
 
 
-let () =
+let command () =
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/Qmcchem_result.ml

@@ -206,7 +206,7 @@ let run ?a ?c ?e ?h ?t ?p ?rmin ?rmax ezfio_file =
     display_summary ~range
 
 
-let () = 
+let command () = 
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/Qmcchem_run.ml

@@ -192,7 +192,7 @@ let run a d ?q ?s ezfio_filename =
 
 
 
-let () =
+let command () =
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/Qmcchem_stop.ml

@@ -3,7 +3,7 @@ let run ezfio_filename =
   Qputils.set_ezfio_filename ezfio_filename;
   Status.write Status.Stopping
 
-let () = 
+let command () = 
   let open Command_line in
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");

ocaml/qmcchem.ml

@@ -1,9 +1,11 @@
 let update_command_line () =
-  let last = Array.length Sys.argv - 1 in
+  let last = (Array.length Sys.argv) - 2 in
+  Sys.argv.(0) <- Sys.argv.(0) ^ " " ^ Sys.argv.(1);
   for i=1 to last do
     Sys.argv.(i) <- Sys.argv.(i+1)
   done;
-  Sys.argv.(last) <- "--"
+  Sys.argv.(last+1) <- "--"
+
 
 
 let () =
@@ -11,29 +13,24 @@ let () =
   begin
     set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
     set_description_doc "Driver for subcommands.";
-    [
-      anonymous "COMMAND"   Mandatory "[debug|edit|info|md5|result|run|stop]";
-      anonymous "EZFIO_DIR" Mandatory "EZFIO directory";
-    ]
-    |> set_specs
+    set_specs []
   end; 
 
-  let command = 
-    match Command_line.anon_args () with
-    | command :: ezfio_file :: [] -> command
-    | _  -> (Command_line.help () ; failwith "Inconsistent command line")
-  in
+  if Array.length Sys.argv < 2 then
+    (Command_line.help (); failwith "Inconsistent command line");
 
+  let command = Sys.argv.(1) in
   update_command_line ();
+  Command_line.reset ();
 
   match command with
-  | "debug"  -> let open Qmcchem_debug  in ()
-  | "edit"   -> let open Qmcchem_edit   in ()
-  | "info"   -> let open Qmcchem_info   in ()
-  | "md5"    -> let open Qmcchem_md5    in ()
-  | "result" -> let open Qmcchem_result in ()
-  | "run"    -> let open Qmcchem_run    in ()
-  | "stop"   -> let open Qmcchem_stop   in ()
+  | "debug"  -> let open Qmcchem_debug  in command ()
+  | "edit"   -> let open Qmcchem_edit   in command ()
+  | "info"   -> let open Qmcchem_info   in command ()
+  | "md5"    -> let open Qmcchem_md5    in command ()
+  | "result" -> let open Qmcchem_result in command ()
+  | "run"    -> let open Qmcchem_run    in command ()
+  | "stop"   -> let open Qmcchem_stop   in command ()
   | _        -> (Command_line.help () ; failwith "Inconsistent command line")