From 1a2ea34ff2f31f19d68e8483e1c0c9aca63f0eae Mon Sep 17 00:00:00 2001 From: edoapra Date: Thu, 21 Nov 2024 17:02:37 -0800 Subject: [PATCH] API change --- src/basis/getlibr.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/basis/getlibr.py b/src/basis/getlibr.py index 452c90d771..11075a3a78 100755 --- a/src/basis/getlibr.py +++ b/src/basis/getlibr.py @@ -1,4 +1,4 @@ -#!/usr/bin/python3 +#!/usr/bin/env python # This script downloads the basis set library data from www.basissetexchange.org # into the directory $NWCHEM_TOP/src/basis/libraries.bse # To run, cd $NWCHEM_TOP/src/basis/libraries.bse/ && ../getlibr.py @@ -48,7 +48,7 @@ def writebs(md, bas_name, summary_file, get_aux=0): file_name = file_name + "-autoaux" print(' file name is '+file_name+"\n") output_file = open(file_name,'w') - output_file.write('# BSE Version '+bse.version()+'\n') + output_file.write('# BSE Version '+bse.get_version()+'\n') output_file.write('# Data downloaded on '+today+'\n') if get_aux==0: