From 8d37fbc955d79ccb8f66f871769d721ba2eec8a1 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Tue, 2 Apr 2024 20:43:11 -0400
Subject: [PATCH] raise error instead of sys.exit (#569)

`sys.exit` is a lousy implementation when one wants to catch the error.

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
---
 dpdata/qe/scf.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/dpdata/qe/scf.py b/dpdata/qe/scf.py
index b8f9c129..cd9c6f28 100755
--- a/dpdata/qe/scf.py
+++ b/dpdata/qe/scf.py
@@ -1,7 +1,6 @@
 #!/usr/bin/env python3
 
 import os
-import sys
 
 import numpy as np
 
@@ -55,7 +54,7 @@ def get_cell(lines):
             raise RuntimeError("parameter 'a' or 'celldm(1)' cannot be found.")
         ret = np.array([[a, 0.0, 0.0], [0.0, a, 0.0], [0.0, 0.0, a]])
     else:
-        sys.exit("ibrav > 1 not supported yet.")
+        raise RuntimeError("ibrav > 1 not supported yet.")
     return ret