From a0949cba45749d1e43a28273a1a9bdb05c2d1ab1 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Sat, 18 Jun 2022 11:39:36 +0200
Subject: [PATCH] Better error handling on ocaml

---
 etc/qp.rc                 |  2 --
 external/qp2-dependencies |  2 +-
 ocaml/Command_line.ml     | 19 +++++++++++--------
 ocaml/Command_line.mli    |  2 ++
 ocaml/qp_create_ezfio.ml  | 11 ++++++++---
 5 files changed, 22 insertions(+), 14 deletions(-)

diff --git a/etc/qp.rc b/etc/qp.rc
index c56661c7..064ca3f7 100644
--- a/etc/qp.rc
+++ b/etc/qp.rc
@@ -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
       ;;
diff --git a/external/qp2-dependencies b/external/qp2-dependencies
index 242151e0..90ee61f5 160000
--- a/external/qp2-dependencies
+++ b/external/qp2-dependencies
@@ -1 +1 @@
-Subproject commit 242151e03d1d6bf042387226431d82d35845686a
+Subproject commit 90ee61f5041c7c94a0c605625a264860292813a0
diff --git a/ocaml/Command_line.ml b/ocaml/Command_line.ml
index 1dd57892..602315c6 100644
--- a/ocaml/Command_line.ml
+++ b/ocaml/Command_line.ml
@@ -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.")
-        )
 ;;
 
 
diff --git a/ocaml/Command_line.mli b/ocaml/Command_line.mli
index 9f6e7022..5ad4ee08 100644
--- a/ocaml/Command_line.mli
+++ b/ocaml/Command_line.mli
@@ -59,6 +59,8 @@ let () =
 *)
 
 
+exception Error of string
+
 type short_opt = char
 
 type long_opt = string
diff --git a/ocaml/qp_create_ezfio.ml b/ocaml/qp_create_ezfio.ml
index be6c305b..4583b118 100644
--- a/ocaml/qp_create_ezfio.ml
+++ b/ocaml/qp_create_ezfio.ml
@@ -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