diff --git a/source/KKRnano/regtests/run_test.sh b/source/KKRnano/regtests/run_test.sh index 117c9a1277429a052cdbe6bd15419a991e8859ec..af7b9a6b7885945421024affac46f8994561d9bf 100755 --- a/source/KKRnano/regtests/run_test.sh +++ b/source/KKRnano/regtests/run_test.sh @@ -10,7 +10,7 @@ day=`date "+%Y%m%d%H%M"` rm -f ./last ## run the test scripts -nohup python2.7 ./tests.py < /dev/null > ${day}_tests.txt +nohup python3 ./tests.py < /dev/null > ${day}_tests.txt ## clean the working directory ./clearfiles.sh diff --git a/source/KKRnano/regtests/tests.py b/source/KKRnano/regtests/tests.py index ede4da137b7696030b4fd4ae4c0e515ebfbfc278..92a9e5ce73de1688e2cc35250af3d96e65cad2d9 100755 --- a/source/KKRnano/regtests/tests.py +++ b/source/KKRnano/regtests/tests.py @@ -1,4 +1,4 @@ -#!/usr/bin/python +#!/usr/bin/env python3 import unittest import subprocess @@ -40,11 +40,11 @@ def get_energy(string): match = list(re.finditer(r"^.*TOTAL ENERGY in ryd. :(.*)$", string, re.M))[-1] # get last match only except: print(string) - raise ArgumentError + raise ValueError("Error getting energy from output") if match is not None: return float(match.group(1)) else: - raise ArgumentError + raise ValueError("Error getting energy from output") def KKRnano(inputdir, nranks=DEFAULT_nranks, nthreads=DEFAULT_nthreads, solver=DEFAULT_solver, lmax=DEFAULT_lmax, Lly=DEFAULT_Lly, **kwargs): """Run KKR-calculation with input from 'inputdir' and returns the total energy"""