def test_aims_consistency_check_raises_warning(self):
with self.assertRaises(Warning):
R = aims.Aims(job_dir=self.tmpdir,
program='aims',
dryrun=True,
pbsname=self.pbsname,
check_consistency=True)
R.submit()
def test_aims_consistency_check_with_files(self):
open(self.control_path, 'w').close()
open(self.geometry_path, 'w').close()
R = aims.Aims(job_dir=self.tmpdir,
dryrun=True,
program='aims',
pbsname=self.pbsname,
check_consistency=True)
R.submit()
def test_aims_without_pbsname(self):
R = aims.Aims(job_dir=self.tmpdir,
dryrun=True,
program='aims',
check_consistency=False)
R.submit()
pbsfile = os.path.isfile(
os.path.join(self.tmpdir, 'job.' + self.foldername + '.arthur'))
self.assertTrue(pbsfile)
def test_aims_consistency_check_with_files_adds_walltime(self):
open(self.geometry_path, 'w').close()
open(self.control_path, 'w').close()
R = aims.Aims(job_dir=self.tmpdir,
dryrun=True,
program='aims',
pbsname=self.pbsname,
check_consistency=True)
R.submit()
walltime = False
for line in open(self.control_path, 'r'):
if 'walltime' in line:
walltime = True
break
self.assertTrue(walltime)