mirror of
https://gitlab.com/scemama/qmcchem.git
synced 2024-11-07 06:33:38 +01:00
Update for OCaml 4.04
This commit is contained in:
parent
9d186b3759
commit
8f978d95c2
@ -1,5 +1,5 @@
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open Core.Std;;
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open Core
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open Qptypes;;
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open Qptypes
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type t =
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type t =
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{ property : Property.t ;
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{ property : Property.t ;
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@ -1,4 +1,4 @@
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open Core.Std;;
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open Core
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let simulation_nucl_fitcusp_factor = lazy(
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let simulation_nucl_fitcusp_factor = lazy(
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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open Qptypes
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open Qptypes
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open Qputils
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open Qputils
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@ -1,4 +1,4 @@
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open Core.Std;;
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open Core
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type t =
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type t =
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| Srun
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| Srun
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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(** Directory containing the list of input files. The directory is created is inexistant. *)
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(** Directory containing the list of input files. The directory is created is inexistant. *)
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let input_directory = lazy (
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let input_directory = lazy (
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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open Qptypes
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open Qptypes
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type t =
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type t =
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@ -1,4 +1,4 @@
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open Core.Std;;
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open Core
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(** QMC=Chem installation directory *)
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(** QMC=Chem installation directory *)
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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open Qptypes
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open Qptypes
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(** Data server of QMC=Chem.
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(** Data server of QMC=Chem.
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@ -36,7 +36,7 @@ let run ?(daemon=true) ezfio_filename =
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begin
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begin
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Printf.printf "Generating initial walkers...\n%!";
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Printf.printf "Generating initial walkers...\n%!";
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Unix.fork_exec ~prog:(Lazy.force Qmcchem_config.qmc_create_walkers)
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Unix.fork_exec ~prog:(Lazy.force Qmcchem_config.qmc_create_walkers)
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~args:["qmc_create_walkers" ; ezfio_filename] ()
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~argv:["qmc_create_walkers" ; ezfio_filename] ()
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|> Unix.waitpid_exn ;
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|> Unix.waitpid_exn ;
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Printf.printf "Initial walkers ready\n%!"
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Printf.printf "Initial walkers ready\n%!"
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end ;
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end ;
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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let run ~t ezfio_filename=
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let run ~t ezfio_filename=
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@ -49,7 +49,7 @@ let run ~t ezfio_filename=
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in
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in
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tot_size := Byte_units.create `Bytes ((Byte_units.bytes !tot_size) +. (Byte_units.bytes bytes));
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tot_size := Byte_units.create `Bytes ((Byte_units.bytes !tot_size) +. (Byte_units.bytes bytes));
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Printf.printf "%s\n%!" (Byte_units.to_string !tot_size);
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Printf.printf "%s\n%!" (Byte_units.to_string !tot_size);
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Time.pause (Time.Span.of_float 1.)
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Time.pause (Time.Span.of_sec 1.)
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done
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done
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end
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end
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else
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else
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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let file_header filename = Printf.sprintf
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let file_header filename = Printf.sprintf
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"
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"
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@ -1,4 +1,4 @@
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open Core.Std;;
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open Core
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let bind_socket ~socket_type ~socket ~address =
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let bind_socket ~socket_type ~socket ~address =
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let rec loop = function
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let rec loop = function
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@ -11,7 +11,7 @@ let bind_socket ~socket_type ~socket ~address =
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ZMQ.Socket.bind socket address;
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ZMQ.Socket.bind socket address;
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loop (-1)
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loop (-1)
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with
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with
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| Unix.Unix_error _ -> (Time.pause @@ Time.Span.of_float 1. ; loop (i-1) )
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| Unix.Unix_error _ -> (Time.pause @@ Time.Span.of_sec 1. ; loop (i-1) )
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| other_exception -> raise other_exception
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| other_exception -> raise other_exception
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in loop 10
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in loop 10
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@ -40,7 +40,7 @@ let run ezfio_filename dataserver =
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in
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in
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(* Build qmc executable command *)
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(* Build qmc executable command *)
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let prog, args =
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let prog, argv =
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qmc,
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qmc,
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[ qmc ; ezfio_filename ;
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[ qmc ; ezfio_filename ;
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Printf.sprintf "ipc://%s:%d" Qmcchem_config.dev_shm port ];
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Printf.sprintf "ipc://%s:%d" Qmcchem_config.dev_shm port ];
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@ -57,7 +57,7 @@ let run ezfio_filename dataserver =
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| Unix.Unix_error _ ->
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| Unix.Unix_error _ ->
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begin
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begin
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Unix.chdir tmpdir;
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Unix.chdir tmpdir;
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Time.pause @@ Time.Span.of_float 0.1;
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Time.pause @@ Time.Span.of_sec 0.1;
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match (Sys.file_exists "PID") with
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match (Sys.file_exists "PID") with
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| `No
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| `No
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| `Unknown -> ()
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| `Unknown -> ()
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@ -75,7 +75,7 @@ let run ezfio_filename dataserver =
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begin
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begin
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match Signal.send (Signal.of_system_int 0) (`Pid (Pid.of_int pid)) with
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match Signal.send (Signal.of_system_int 0) (`Pid (Pid.of_int pid)) with
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| `No_such_process -> ()
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| `No_such_process -> ()
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| _ -> ignore @@ Unix.exec ~prog ~args ()
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| _ -> ignore @@ Unix.exec ~prog ~argv ()
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end
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end
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end
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end
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in
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in
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@ -89,7 +89,7 @@ let run ezfio_filename dataserver =
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(* Fork a qmc *)
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(* Fork a qmc *)
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ignore @@
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ignore @@
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Watchdog.fork_exec ~prog ~args ();
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Watchdog.fork_exec ~prog ~argv ();
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(* If there are MICs, use them here (TODO) *)
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(* If there are MICs, use them here (TODO) *)
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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let run ezfio_filename =
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let run ezfio_filename =
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@ -6,12 +6,12 @@ let run ezfio_filename =
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let qmcchem_info =
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let qmcchem_info =
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Lazy.force Qmcchem_config.qmcchem_info
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Lazy.force Qmcchem_config.qmcchem_info
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in
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in
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let prog, args =
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let prog, argv =
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qmcchem_info,
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qmcchem_info,
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[ qmcchem_info ; ezfio_filename ]
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[ qmcchem_info ; ezfio_filename ]
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in
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in
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ignore @@
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ignore @@
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Unix.exec ~prog ~args ()
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Unix.exec ~prog ~argv ()
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let spec =
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let spec =
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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let run ?c ?d ~l ~update ezfio_filename =
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let run ?c ?d ~l ~update ezfio_filename =
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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open Qptypes
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open Qptypes
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(** Display a table that can be plotted by gnuplot *)
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(** Display a table that can be plotted by gnuplot *)
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@ -65,7 +65,7 @@ let display_cumulants ~range property =
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Printf.printf "Variance = %16.10f\n" cum.(1);
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Printf.printf "Variance = %16.10f\n" cum.(1);
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Printf.printf "Centered k3 = %16.10f\n" cum.(2);
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Printf.printf "Centered k3 = %16.10f\n" cum.(2);
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Printf.printf "Centered k4 = %16.10f\n" cum.(3);
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Printf.printf "Centered k4 = %16.10f\n" cum.(3);
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print_newline ();
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Printf.printf "\n%!";
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let n = 1. /. 12. *. cum.(2) *. cum.(2) +.
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let n = 1. /. 12. *. cum.(2) *. cum.(2) +.
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1. /. 48. *. cum.(3) *. cum.(3)
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1. /. 48. *. cum.(3) *. cum.(3)
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in
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in
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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let full_run ?(start_dataserver=true) ezfio_filename =
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let full_run ?(start_dataserver=true) ezfio_filename =
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(* Identify the job scheduler *)
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(* Identify the job scheduler *)
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@ -36,13 +36,13 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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(* Start the data server *)
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(* Start the data server *)
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let prog, args =
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let prog, argv =
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qmcchem, [ qmcchem; "run" ; "-d" ; ezfio_filename]
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qmcchem, [ qmcchem; "run" ; "-d" ; ezfio_filename]
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in
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in
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let pid_dataserver =
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let pid_dataserver =
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Watchdog.fork_exec ~prog ~args ()
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Watchdog.fork_exec ~prog ~argv ()
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in
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in
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Printf.printf "%7d : %s\n%!" (Pid.to_int pid_dataserver) (String.concat ~sep:" " args)
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Printf.printf "%7d : %s\n%!" (Pid.to_int pid_dataserver) (String.concat ~sep:" " argv)
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end;
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end;
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@ -83,7 +83,7 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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| n ->
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| n ->
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if (not (test_open_rep_socket ())) then
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if (not (test_open_rep_socket ())) then
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begin
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begin
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Time.pause (Time.Span.of_float 0.5);
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Time.pause (Time.Span.of_sec 0.5);
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count (n-1);
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count (n-1);
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end
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end
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else
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else
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@ -94,7 +94,7 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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(* Start the qmc processes *)
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(* Start the qmc processes *)
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let prog, args =
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let prog, argv =
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let launcher =
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let launcher =
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Launcher.(find () |> to_string)
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Launcher.(find () |> to_string)
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in
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in
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@ -110,12 +110,12 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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in
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in
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let pid_qmc =
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let pid_qmc =
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try
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try
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Watchdog.fork_exec ~prog ~args ()
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Watchdog.fork_exec ~prog ~argv ()
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with
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with
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| Unix.Unix_error _ ->
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| Unix.Unix_error _ ->
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begin
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begin
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let command =
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let command =
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String.concat ~sep:" " args
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String.concat ~sep:" " argv
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in
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in
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Printf.printf "
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Printf.printf "
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============================================================
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============================================================
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@ -126,7 +126,7 @@ Error: Unable to run the following command
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Watchdog.kill ()
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Watchdog.kill ()
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end
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end
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in
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in
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Printf.printf "%7d : %s\n%!" (Pid.to_int pid_qmc) (String.concat ~sep:" " args);
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Printf.printf "%7d : %s\n%!" (Pid.to_int pid_qmc) (String.concat ~sep:" " argv);
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(* Wait for processes to finish *)
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(* Wait for processes to finish *)
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Watchdog.join ()
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Watchdog.join ()
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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|
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|
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let run ezfio_filename =
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let run ezfio_filename =
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
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let split_re =
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let split_re =
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Str.regexp " +"
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Str.regexp " +"
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@ -1,4 +1,4 @@
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open Core.Std
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open Core
|
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open Qptypes
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open Qptypes
|
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|
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type t =
|
type t =
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@ -64,7 +64,7 @@ end = struct
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(x -. mu) *. ( x -. mu) /. sigma2
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(x -. mu) *. ( x -. mu) /. sigma2
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in
|
in
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let pi =
|
let pi =
|
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acos (-1.)
|
Float.acos (-1.)
|
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in
|
in
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let c =
|
let c =
|
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1. /. (sqrt (sigma2 *. (pi +. pi)))
|
1. /. (sqrt (sigma2 *. (pi +. pi)))
|
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|
@ -1,9 +1,9 @@
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open Core.Std
|
open Core
|
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|
|
||||||
type t =
|
type t =
|
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| One_dimensional of float
|
| One_dimensional of float
|
||||||
| Multidimensional of (float array * int)
|
| Multidimensional of (float array * int)
|
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with sexp
|
[@ deriving sexp]
|
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|
|
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let dimension = function
|
let dimension = function
|
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| One_dimensional _ -> 1
|
| One_dimensional _ -> 1
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||||||
|
@ -1,4 +1,6 @@
|
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type t with sexp
|
open Core
|
||||||
|
|
||||||
|
type t [@@ deriving sexp]
|
||||||
val to_float : ?idx:int -> t -> float
|
val to_float : ?idx:int -> t -> float
|
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val to_float_array : t -> float array
|
val to_float_array : t -> float array
|
||||||
val of_float : float -> t
|
val of_float : float -> t
|
||||||
|
@ -1,4 +1,4 @@
|
|||||||
open Core.Std;;
|
open Core
|
||||||
|
|
||||||
type t =
|
type t =
|
||||||
| SGE
|
| SGE
|
||||||
|
@ -1,4 +1,4 @@
|
|||||||
open Core.Std;;
|
open Core
|
||||||
|
|
||||||
let _list = ref [] ;;
|
let _list = ref [] ;;
|
||||||
let _running = ref false;;
|
let _running = ref false;;
|
||||||
@ -90,9 +90,9 @@ let del pid =
|
|||||||
;;
|
;;
|
||||||
|
|
||||||
(** Fork and exec a new process *)
|
(** Fork and exec a new process *)
|
||||||
let fork_exec ~prog ~args () =
|
let fork_exec ~prog ~argv () =
|
||||||
let pid =
|
let pid =
|
||||||
Unix.fork_exec ~prog ~args ()
|
Unix.fork_exec ~prog ~argv ()
|
||||||
in
|
in
|
||||||
|
|
||||||
let f () =
|
let f () =
|
||||||
|
@ -1,7 +1,7 @@
|
|||||||
MAIN=qmcchem
|
MAIN=qmcchem
|
||||||
# Main program to build
|
# Main program to build
|
||||||
|
|
||||||
PACKAGES=-package core,cryptokit,str,ZMQ,sexplib.syntax
|
PACKAGES=-package core,cryptokit,str,ZMQ
|
||||||
#,ppx_sexp_conv
|
#,ppx_sexp_conv
|
||||||
# Required opam packages, for example:
|
# Required opam packages, for example:
|
||||||
# PACKAGES=-package core,sexplib.syntax
|
# PACKAGES=-package core,sexplib.syntax
|
||||||
@ -10,7 +10,7 @@ THREAD=-thread
|
|||||||
# If you need threding support, use:
|
# If you need threding support, use:
|
||||||
# THREAD=-thread
|
# THREAD=-thread
|
||||||
|
|
||||||
SYNTAX=-syntax camlp4o
|
SYNTAX=
|
||||||
# If you need pre-processing, use:
|
# If you need pre-processing, use:
|
||||||
# SYNTAX=-syntax camlp4o
|
# SYNTAX=-syntax camlp4o
|
||||||
|
|
||||||
|
@ -196,7 +196,7 @@ MAIN=
|
|||||||
|
|
||||||
PACKAGES=
|
PACKAGES=
|
||||||
# Required opam packages, for example:
|
# Required opam packages, for example:
|
||||||
# PACKAGES=-package core,sexplib.syntax
|
# PACKAGES=-package core
|
||||||
|
|
||||||
THREAD=
|
THREAD=
|
||||||
# If you need threding support, use:
|
# If you need threding support, use:
|
||||||
|
@ -1,4 +1,4 @@
|
|||||||
open Core.Std
|
open Core
|
||||||
|
|
||||||
|
|
||||||
let command =
|
let command =
|
||||||
|
@ -1,4 +1,4 @@
|
|||||||
open Core.Std;;
|
open Core
|
||||||
|
|
||||||
let input_data = "
|
let input_data = "
|
||||||
* Positive_float : float
|
* Positive_float : float
|
||||||
@ -156,12 +156,12 @@ let untouched = "
|
|||||||
|
|
||||||
let template = format_of_string "
|
let template = format_of_string "
|
||||||
module %s : sig
|
module %s : sig
|
||||||
type t with sexp
|
type t [@@ deriving sexp]
|
||||||
val to_%s : t -> %s
|
val to_%s : t -> %s
|
||||||
val of_%s : %s %s -> t
|
val of_%s : %s %s -> t
|
||||||
val to_string : t -> string
|
val to_string : t -> string
|
||||||
end = struct
|
end = struct
|
||||||
type t = %s with sexp
|
type t = %s [@@ deriving sexp]
|
||||||
let to_%s x = x
|
let to_%s x = x
|
||||||
let of_%s %s x = ( %s x )
|
let of_%s %s x = ( %s x )
|
||||||
let to_string x = %s.to_string x
|
let to_string x = %s.to_string x
|
||||||
@ -199,13 +199,13 @@ let parse_input input=
|
|||||||
|
|
||||||
let ezfio_template = format_of_string "
|
let ezfio_template = format_of_string "
|
||||||
module %s : sig
|
module %s : sig
|
||||||
type t with sexp
|
type t [@@ deriving sexp]
|
||||||
val to_%s : t -> %s
|
val to_%s : t -> %s
|
||||||
val get_max : unit -> %s
|
val get_max : unit -> %s
|
||||||
val of_%s : ?min:%s -> ?max:%s -> %s -> t
|
val of_%s : ?min:%s -> ?max:%s -> %s -> t
|
||||||
val to_string : t -> string
|
val to_string : t -> string
|
||||||
end = struct
|
end = struct
|
||||||
type t = %s with sexp
|
type t = %s [@@ deriving sexp]
|
||||||
let to_string x = %s.to_string x
|
let to_string x = %s.to_string x
|
||||||
let get_max () =
|
let get_max () =
|
||||||
if (Ezfio.has_%s ()) then
|
if (Ezfio.has_%s ()) then
|
||||||
@ -312,7 +312,7 @@ match msg with " ] @
|
|||||||
let () =
|
let () =
|
||||||
let input =
|
let input =
|
||||||
String.concat ~sep:"\n"
|
String.concat ~sep:"\n"
|
||||||
[ "open Core.Std\nlet warning = print_string\n\n" ;
|
[ "open Core\nlet warning = print_string\n\n" ;
|
||||||
parse_input input_data ;
|
parse_input input_data ;
|
||||||
parse_input_ezfio input_ezfio ;
|
parse_input_ezfio input_ezfio ;
|
||||||
create_ezfio_handler ();
|
create_ezfio_handler ();
|
||||||
|
Loading…
Reference in New Issue
Block a user