Unpin ASE, fix test

[danielhollas]

fixes #612

[danielhollas]

Looks like the failing test is just that new ASE version now prints more digits in the cif file (xyz files are unchanged).

Here's the cif file

data_image0
_chemical_formula_structural       Si2
_chemical_formula_sum              "Si2"
_cell_length_a       3.84737
_cell_length_b       3.847369863377448
_cell_length_c       3.847369616935836
_cell_angle_alpha    59.99999709797012
_cell_angle_beta     59.999996706409306
_cell_angle_gamma    59.99999882531759

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Si  Si1       1.0  0.0  0.0  0.0  1.0000
  Si  Si2       1.0  0.25000000000000006  0.25  0.25  1.0000

And here's the diff with the old version

diff test.cif test_new.cif 
5,9c5,9
< _cell_length_b       3.84737
< _cell_length_c       3.84737
< _cell_angle_alpha    60
< _cell_angle_beta     60
< _cell_angle_gamma    60
---
> _cell_length_b       3.847369863377448
> _cell_length_c       3.847369616935836
> _cell_angle_alpha    59.99999709797012
> _cell_angle_beta     59.999996706409306
> _cell_angle_gamma    59.99999882531759
26,27c26,27
<   Si  Si1       1.0  0.00000  0.00000  0.00000  1.0000
<   Si  Si2       1.0  0.25000  0.25000  0.25000  1.0000
---
>   Si  Si1       1.0  0.0  0.0  0.0  1.0000
>   Si  Si2       1.0  0.25000000000000006  0.25  0.25  1.0000

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 83.33%. Comparing base (0b1651b) to head (a91d758).
Report is 1 commits behind head on master.

Additional details and impacted files

@@           Coverage Diff           @@
##           master     #627   +/-   ##
=======================================
  Coverage   83.33%   83.33%           
=======================================
  Files          17       17           
  Lines        3583     3583           
=======================================
  Hits         2986     2986           
  Misses        597      597           

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python-3.11	83.33% <ø> (ø)
python-3.9	83.37% <ø> (ø)

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[danielhollas]

This test produces Si2.png and __temp__.pov files so we change the current working directory to a tmp_path. Ultimately this should probably be fixed somewhere in the _render_structure code. I'll do that in a separate PR.

[superstar54]

LGTM!