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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-06-21 20:52:06 +02:00
qmcchem/ocaml/Qmcchem_md5.ml
2019-07-22 12:19:12 +02:00

166 lines
4.3 KiB
OCaml

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