mirror of https://gitlab.com/scemama/qmcchem.git
166 lines
4.3 KiB
OCaml
166 lines
4.3 KiB
OCaml
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let run ?c ?d ~l ~update ezfio_filename =
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Qputils.set_ezfio_filename ezfio_filename;
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let input_directory =
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Lazy.force QmcMd5.input_directory
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in
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let handle_options () =
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let current_md5 =
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QmcMd5.hash ()
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in
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let filename_of_key key =
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Filename.concat input_directory key
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in
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let key_is_valid key =
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let filename =
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filename_of_key key
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in
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Sys.file_exists filename
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in
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if (update) then
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begin
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Printf.printf "Updating\n%!" ;
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let update_one old_key =
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Qmcchem_edit.run ~c:false ~input:(filename_of_key old_key) ezfio_filename;
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QmcMd5.reset_hash ();
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let new_key =
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QmcMd5.hash ()
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in
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if (old_key <> new_key) then
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begin
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let prefix =
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Filename.concat ezfio_filename "blocks"
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in
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let new_name =
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Filename.concat prefix new_key
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and old_name =
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Filename.concat prefix old_key
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in
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Printf.printf "Renaming %s -> %s\n" old_name new_name;
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try Sys.rename old_name new_name with
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| Sys_error _ -> ();
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let old_name =
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String.concat "/" [ ezfio_filename; "input"; old_key ]
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in
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Printf.printf "Removing %s\n%!" old_name;
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try Sys.remove old_name with
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| Sys_error _ -> ();
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end
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in
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Sys.readdir input_directory
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|> Array.iter (fun x -> update_one x) ;
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Printf.printf "Done\n%!" ;
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end
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;
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let () =
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match c with
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| None -> ()
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| Some new_md5 ->
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if (key_is_valid new_md5) then
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Qmcchem_edit.run ~c:false ~input:(filename_of_key new_md5) ezfio_filename
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else
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failwith ("Error: " ^ new_md5 ^ " does not exist")
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in
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let () =
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match l with
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| false -> ()
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| true ->
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Sys.readdir input_directory
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|> Array.iter (fun md5 ->
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let filename =
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Filename.concat input_directory md5
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in
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let this =
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if (md5 = current_md5) then
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"<-"
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else
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""
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in
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let date =
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let open Unix in
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localtime (stat filename).st_mtime
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|> Time.string_of_date
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in
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Printf.printf "%s : %s %s\n" md5 date this)
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in
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let () =
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match d with
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| None -> ()
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| Some other_key ->
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if (key_is_valid other_key) then
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let command =
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String.concat " "
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[ "diff" ; "-u" ; "-w" ;
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(filename_of_key current_md5) ;
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(filename_of_key other_key) ]
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in
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ignore @@ Unix.system command
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else
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failwith ("Error: " ^ other_key ^ " does not exist")
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in
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()
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in
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match (c,d,l,update) with
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| (None,None,false,false) ->
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Printf.printf "Current key :\n%s\n" (QmcMd5.hash ())
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| _ -> handle_options ()
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let command () =
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let open Command_line in
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begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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set_description_doc "Manipulate input MD5 keys";
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[ { short='c' ; long="clear" ; opt=Optional ;
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doc="Change to input to <key>" ;
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arg=With_arg "<string>" ; };
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{ short='d' ; long="diff" ; opt=Optional ;
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doc="Show input differences with <key>" ;
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arg=With_arg "<string>" ; };
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{ short='l' ; long="list" ; opt=Optional ;
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doc="List all the saved MD5 keys." ;
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arg=Without_arg ; };
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{ short='u' ; long="update" ; opt=Optional ;
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doc="Update to the latest MD5 format." ;
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arg=Without_arg ; };
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anonymous "EZFIO_DIR" Mandatory "EZFIO directory";
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]
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|> set_specs
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end;
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let update = Command_line.get_bool "update" in
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let c = Command_line.get "clear" in
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let d = Command_line.get "diff" in
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let l = Command_line.get_bool "list" in
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let ezfio_file =
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match Command_line.anon_args () with
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| ezfio_file :: [] -> ezfio_file
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| _ -> (Command_line.help () ; failwith "Inconsistent command line")
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in
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run ?c ?d ~l ~update ezfio_file
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