Add %compound file completion; fix inline directive highlighting

ftplugin/orca.vim

@@ -525,7 +525,7 @@ function! s:DetectBlock()
 endfunction
 
 " Inline directives that look like blocks but have no 'end' and no skeleton.
-let s:inline_directives = ['maxcore', 'moinp', 'moread']
+let s:inline_directives = ['compound', 'maxcore', 'moinp', 'moread']
 
 " Completion items for block names. Full blocks carry user_data so MaybeSkeleton
 " inserts the skeleton; inline directives don't.
@@ -556,6 +556,12 @@ function! s:IsMOInpLine()
   return before =~? '^\s*%moinp\s'
 endfunction
 
+" True when cursor is past %compound (ready for the .cmp filename).
+function! s:IsCompoundLine()
+  let before = strpart(getline('.'), 0, col('.') - 1)
+  return before =~? '^\s*%compound\s'
+endfunction
+
 " Candidates for the current cursor context (bang line or inside a block).
 function! s:Candidates(base)
   let line = getline('.')
@@ -570,6 +576,11 @@ function! s:Candidates(base)
     return map(glob(dir . '/' . a:base . '*.gbw', 0, 1), {_, f -> fnamemodify(f, ':t')})
   endif
 
+  if s:IsCompoundLine()
+    let dir = expand('%:p:h')
+    return map(glob(dir . '/' . a:base . '*.cmp', 0, 1), {_, f -> fnamemodify(f, ':t')})
+  endif
+
   let block = s:DetectBlock()
   if !empty(block) && has_key(g:orca_block_params, block)
     return s:FilterList(g:orca_block_params[block], a:base)
@@ -678,6 +689,25 @@ function! s:AutoTrigger()
     " which calls s:Candidates → s:IsMOInpLine path for prefix filtering
   endif
 
+  " %compound line: auto-insert "" on first space, then complete .cmp inside them
+  if s:IsCompoundLine()
+    if ch ==# ' ' && getline('.') =~? '^\s*%compound\s*$'
+      " First space after %compound: insert "", park cursor inside, trigger omni
+      call feedkeys('""' . "\<Left>" . "\<C-x>\<C-o>", 'n')
+      return
+    endif
+    if ch ==# '"'
+      " Opening quote typed manually: show all cmp files
+      let matches = s:Candidates('')
+      if !empty(matches)
+        call complete(col + 1, matches)
+      endif
+      return
+    endif
+    " \w chars inside quotes fall through to the general handler below,
+    " which calls s:Candidates → s:IsCompoundLine path for prefix filtering
+  endif
+
   " Block solvent-value context triggered by space: 'smdsolvent |'
   if ch ==# ' '
     let m = matchlist(strpart(line, 0, col - 1), '^\s*\(\w\+\)\s*$\c')
@@ -757,6 +787,14 @@ function! s:MaybeSkeleton()
     return
   endif
 
+  " After a .cmp completion on a %compound line, add closing " if not present
+  if getline('.') =~? '^\s*%compound\s'
+    if !empty(get(item, 'word', '')) && getline('.')[col('.') - 1] !=# '"'
+      call feedkeys('"', 'n')
+    endif
+    return
+  endif
+
   if get(item, 'user_data', '') !~# '^block:' | return | endif
   let lnum = line('.')
   call append(lnum, [repeat(' ', shiftwidth()), 'end'])

syntax/orca.vim

@@ -1257,7 +1257,9 @@ syn keyword orcaBasis contained PCH-1 PCH-2 PCH-3 PCH-4 AUG-PCH-1 AUG-PCH-2 AUG-
 
 " ============================================================
 " Block directives (% ... end)
-" - Inline directives: %maxcore, %moread (no end)
+" - Inline directives: %maxcore, %moread, %moinp, and the file form of
+"   %compound (no end). These must NOT appear in the methodBlock start=
+"   alternation, or the region swallows everything until the next col-0 'end'.
 " - Paired regions: all others
 " To add a new block:
 "   1. append its name to the methodBlock start= alternation below
@@ -1266,18 +1268,20 @@ syn keyword orcaBasis contained PCH-1 PCH-2 PCH-3 PCH-4 AUG-PCH-1 AUG-PCH-2 AUG-
 syn match orcaBlock "%maxcore\>" contains=startBlock
 syn match orcaBlock "%moread\>" contains=startBlock
 syn match orcaBlock "%moinp\>" contains=startBlock
+syn match orcaBlock "%compound\>" contains=startBlock
 
 " block directive regions
 " end= matches 'end' only at column 0 (no leading whitespace), so indented
 " 'end' tokens closing sub-blocks (e.g. CASDFT...end, Constraints...end)
 " do not close the outer block region.
 " To add a new block: add its name to the alternation below AND to orcaBlock above.
 syn region methodBlock
-         \ start="%\(method\|basis\|scf\|mp2\|cis\|tddft\|mrci\|geom\|freq\|vpt2\|esd\|dftmrci\|moinp\)"
+         \ start="%\(method\|basis\|scf\|mp2\|cis\|tddft\|mrci\|geom\|freq\|vpt2\|esd\|dftmrci\)"
          \ start="%\(coords\|output\|ci\|plots\|parameters\|ndoparas\|rel\|dkh\|pal\|cosmo\|rr\)"
          \ start="%\(eprnmr\|loc\|elprop\|casscf\|mcrpa\|mdci\|dlpnocc\|mm\|mtr\|xes\|chelpg\)"
          \ start="%\(numgrad\|mecp\|ecp\|rocis\|mrcc\|cipsi\|ice\|iceci\|md\|nbo\|lft\|autoci\)"
-         \ start="%\(cpcm\|cim\|compound\|neb\|irc\|anmr\|cregen\|confscript\|anmrrc\|qmmm\)"
+         \ start="%\(cpcm\|cim\|neb\|irc\|anmr\|cregen\|confscript\|anmrrc\|qmmm\)"
+         \ start="%compound\s*$"
          \ start="%\(conical\|ecrism\|shark\|symmetry\|sym\|xtb\|goat\|docker\|solvator\)"
          \ start="%\(casresp\|frag\|casdft\|mcd\|qgprop\|magrelax\|eda\)"
          \ end="^end\>"

test/example.inp

@@ -14,6 +14,13 @@
   H   0.630  -0.630  -0.630
 *
 
+# ------------------------------------------------------------------------------
+# Inline directives (no end) - must not swallow highlighting of lines below
+# ------------------------------------------------------------------------------
+%maxcore 4000
+%moinp "previous.gbw"
+%compound "workflow.cmp"
+
 # ------------------------------------------------------------------------------
 %pal
   nprocs 8