guix/gnu/packages/patches/openbabel-fix-crash-on-nwchem-output.patch

From 52cea818bf68f8a2d3c48d55d00c2f8b7da25e4c Mon Sep 17 00:00:00 2001
From: Daniel Hogan <daniel.hogan@usask.ca>
Date: Tue, 28 Mar 2017 22:21:18 -0600
Subject: [PATCH] Remove delete statement.

When from_scratch is true, coordinates is not allocated. A separate if
statement was added to handle the case when from_scratch is true that
does not try to free coordinates.
---
 src/formats/nwchemformat.cpp | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/src/formats/nwchemformat.cpp b/src/formats/nwchemformat.cpp
index 6f625ad5b..79298555f 100644
--- a/src/formats/nwchemformat.cpp
+++ b/src/formats/nwchemformat.cpp
@@ -232,11 +232,14 @@ static const char* OPTIMIZATION_END_PATTERN = "  Optimization converged";
           break;
         tokenize(vs,buffer);
     }
-    if ((from_scratch)||(i != natoms))
-      {
+    if (from_scratch) 
+    {
+        return;
+    }
+    if (i != natoms) {
         delete[] coordinates;
         return;
-      }
+    }
     molecule->AddConformer(coordinates);
   }