old_contents: #!/usr/bin/env python
  # -*- coding: utf-8 -*-
  #
  # Author:  Dominik Gresch <greschd@gmx.ch>
  
  import os
  
  import pytest
  import tempfile
  import numpy as np
  import bandstructure_utils as bs
  from click.testing import CliRunner
  
  import tbmodels
  from tbmodels._cli import cli
  from parameters import SAMPLES_DIR
  
  def test_cli_bands():
      samples_dir = os.path.join(SAMPLES_DIR, 'cli_bands')
      runner = CliRunner()
      with tempfile.NamedTemporaryFile() as out_file:
          run = runner.invoke(
              cli,
              [
                  'bands',
                  '-o', out_file.name,
                  '-k', os.path.join(samples_dir, 'kpoints.hdf5'),
                  '-i', os.path.join(samples_dir, 'silicon_model.hdf5')
              ],
              catch_exceptions=False
          )
          print(run.output)
          res = bs.io.load(out_file.name)
      reference = bs.io.load(os.path.join(samples_dir, 'silicon_bands.hdf5'))
      np.testing.assert_allclose(bs.compare.difference(res, reference), 0)
  
new_contents: #!/usr/bin/env python
  # -*- coding: utf-8 -*-
  #
  # Author:  Dominik Gresch <greschd@gmx.ch>
  
  import os
  
  import pytest
  import tempfile
  import numpy as np
  import bandstructure_utils as bs
  from click.testing import CliRunner
  
  import tbmodels
  from tbmodels._cli import cli
  from parameters import SAMPLES_DIR
  
  def test_cli_bands():
      samples_dir = os.path.join(SAMPLES_DIR, 'cli_bands')
      runner = CliRunner()
      with tempfile.NamedTemporaryFile() as out_file:
          run = runner.invoke(
              cli,
              [
                  'bands',
                  '-o', out_file.name,
                  '-k', os.path.join(samples_dir, 'kpoints.hdf5'),
                  '-i', os.path.join(samples_dir, 'silicon_model.hdf5')
              ],
              catch_exceptions=False
          )
          print(run.output)
          res = bs.io.load(out_file.name)
      reference = bs.io.load(os.path.join(samples_dir, 'silicon_bands.hdf5'))
      np.testing.assert_allclose(bs.compare.difference(res, reference), 0, atol=1e-10)
  
subject: Add absolute tolerance to allclose test