From b8cd553a3b501cfbf14ff2b6d250a70d1d5a9aca Mon Sep 17 00:00:00 2001
From: albert <92109627+Albkat@users.noreply.github.com>
Date: Wed, 6 Mar 2024 09:03:57 +0100
Subject: [PATCH] fix no omp build

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
---
 src/extern/orca.f90 | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/src/extern/orca.f90 b/src/extern/orca.f90
index dddf5fdac..8c7b81a9b 100644
--- a/src/extern/orca.f90
+++ b/src/extern/orca.f90
@@ -278,10 +278,12 @@ subroutine writeOrcaInp(env,io,mol,input,mode)
    write(io,'("#",1x,a)') &
       "ORCA input is generated automatically. Not correct way."
    
+   num_threads = 1 ! default
+
    ! number of cores !
    !$omp parallel
    !$omp master
-      num_threads = omp_get_num_threads()
+   !$   num_threads = omp_get_num_threads()
    !$omp end master
    !$omp end parallel