From baedd55f3cf5fcee02f8c857eec63aa7e3e7e8b3 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Sat, 26 Oct 2019 12:39:04 -0400 Subject: [PATCH] support openbabel >=3.0 --- dpgen/generator/lib/gaussian.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/dpgen/generator/lib/gaussian.py b/dpgen/generator/lib/gaussian.py index e8ec40a5b..2669e5f56 100644 --- a/dpgen/generator/lib/gaussian.py +++ b/dpgen/generator/lib/gaussian.py @@ -9,9 +9,12 @@ from scipy.sparse.csgraph import connected_components from scipy.spatial import cKDTree try: - import openbabel + from openbabel import openbabel except ImportError: - pass + try: + import openbabel + except ImportError: + pass try: from ase import Atoms, Atom from ase.data import atomic_numbers