mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-30 10:18:07 +01:00
Better error handling on ocaml
Some checks failed
continuous-integration/drone/push Build is failing
Some checks failed
continuous-integration/drone/push Build is failing
This commit is contained in:
parent
d11b7365cb
commit
a0949cba45
@ -80,8 +80,6 @@ function qp()
|
||||
if [[ -d $NAME ]] ; then
|
||||
[[ -d $EZFIO_FILE ]] && ezfio unset_file
|
||||
ezfio set_file $NAME
|
||||
else
|
||||
qp_create_ezfio -h | more
|
||||
fi
|
||||
unset _ARGS
|
||||
;;
|
||||
|
2
external/qp2-dependencies
vendored
2
external/qp2-dependencies
vendored
@ -1 +1 @@
|
||||
Subproject commit 242151e03d1d6bf042387226431d82d35845686a
|
||||
Subproject commit 90ee61f5041c7c94a0c605625a264860292813a0
|
@ -1,3 +1,5 @@
|
||||
exception Error of string
|
||||
|
||||
type short_opt = char
|
||||
type long_opt = string
|
||||
type optional = Mandatory | Optional
|
||||
@ -181,15 +183,16 @@ let set_specs specs_in =
|
||||
Getopt.parse_cmdline cmd_specs (fun x -> anon_args := !anon_args @ [x]);
|
||||
|
||||
if show_help () then
|
||||
(help () ; exit 0);
|
||||
help ()
|
||||
else
|
||||
(* Check that all mandatory arguments are set *)
|
||||
List.filter (fun x -> x.short <> ' ' && x.opt = Mandatory) !specs
|
||||
|> List.iter (fun x ->
|
||||
match get x.long with
|
||||
| Some _ -> ()
|
||||
| None -> raise (Error ("--"^x.long^" option is missing."))
|
||||
)
|
||||
|
||||
(* Check that all mandatory arguments are set *)
|
||||
List.filter (fun x -> x.short <> ' ' && x.opt = Mandatory) !specs
|
||||
|> List.iter (fun x ->
|
||||
match get x.long with
|
||||
| Some _ -> ()
|
||||
| None -> failwith ("Error: --"^x.long^" option is missing.")
|
||||
)
|
||||
;;
|
||||
|
||||
|
||||
|
@ -59,6 +59,8 @@ let () =
|
||||
*)
|
||||
|
||||
|
||||
exception Error of string
|
||||
|
||||
type short_opt = char
|
||||
|
||||
type long_opt = string
|
||||
|
@ -677,6 +677,7 @@ let run ?o b au c d m p cart xyz_file =
|
||||
|
||||
let () =
|
||||
|
||||
try (
|
||||
|
||||
let open Command_line in
|
||||
begin
|
||||
@ -734,7 +735,7 @@ If a file with the same name as the basis set exists, this file will be read. O
|
||||
|
||||
let basis =
|
||||
match Command_line.get "basis" with
|
||||
| None -> assert false
|
||||
| None -> ""
|
||||
| Some x -> x
|
||||
in
|
||||
|
||||
@ -773,10 +774,14 @@ If a file with the same name as the basis set exists, this file will be read. O
|
||||
|
||||
let xyz_filename =
|
||||
match Command_line.anon_args () with
|
||||
| [x] -> x
|
||||
| _ -> (Command_line.help () ; failwith "input file is missing")
|
||||
| [] -> failwith "input file is missing"
|
||||
| x::_ -> x
|
||||
in
|
||||
|
||||
run ?o:output basis au charge dummy multiplicity pseudo cart xyz_filename
|
||||
)
|
||||
with
|
||||
| Failure txt -> Printf.eprintf "Fatal error: %s\n%!" txt
|
||||
| Command_line.Error txt -> Printf.eprintf "Command line error: %s\n%!" txt
|
||||
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user