update type annotations for Tuple to be compatible with breaking chan…

…ge in python 3.9

shakenbreak/input.py

@@ -12,7 +12,12 @@
 import warnings
 from importlib.metadata import version
 from pathlib import Path
-from typing import Optional, Tuple, Union
+from typing import Optional, Union
+import sys
+if sys.version_info >= (3, 9):
+    tuple_type = tuple
+else:
+    from typing import Tuple as tuple_type
 
 import ase
 import numpy as np
@@ -2281,7 +2286,7 @@ def write_distortion_metadata(
     def apply_distortions(
         self,
         verbose: Optional[bool] = None,
-    ) -> Tuple[dict, dict]:
+    ) -> tuple_type[dict, dict]:
         """
         Applies rattle and bond distortion to all defects in `defect_entries`.
         Returns a dictionary with the distorted (and undistorted) structures
@@ -2474,7 +2479,7 @@ def write_vasp_files(
         output_path: str = ".",
         verbose: Optional[bool] = None,
         **kwargs,
-    ) -> Tuple[dict, dict]:
+    ) -> tuple_type[dict, dict]:
         """
         Generates the input files for `vasp_gam` relaxations of all output
         structures.
@@ -2581,7 +2586,7 @@ def write_espresso_files(
         output_path: str = ".",
         verbose: Optional[bool] = None,
         profile=None,
-    ) -> Tuple[dict, dict]:
+    ) -> tuple_type[dict, dict]:
         """
         Generates input files for Quantum Espresso relaxations of all output
         structures.
@@ -2715,7 +2720,7 @@ def write_cp2k_files(
         write_structures_only: Optional[bool] = False,
         output_path: str = ".",
         verbose: Optional[bool] = None,
-    ) -> Tuple[dict, dict]:
+    ) -> tuple_type[dict, dict]:
         """
         Generates input files for CP2K relaxations of all output structures.
 
@@ -2777,7 +2782,7 @@ def write_castep_files(
         write_structures_only: Optional[bool] = False,
         output_path: str = ".",
         verbose: Optional[bool] = None,
-    ) -> Tuple[dict, dict]:
+    ) -> tuple_type[dict, dict]:
         """
         Generates input `.cell` and `.param` files for CASTEP relaxations of
         all output structures.
@@ -2854,7 +2859,7 @@ def write_fhi_aims_files(
         output_path: str = ".",
         verbose: Optional[bool] = None,
         profile=None,
-    ) -> Tuple[dict, dict]:
+    ) -> tuple_type[dict, dict]:
         """
         Generates input geometry and control files for FHI-aims relaxations
         of all output structures.

shakenbreak/plotting.py

@@ -8,7 +8,12 @@
 import os
 import shutil
 import warnings
-from typing import Optional, Tuple
+from typing import Optional
+import sys
+if sys.version_info >= (3, 9):
+    tuple_type = tuple
+else:
+    from typing import Tuple as tuple_type
 
 import matplotlib as mpl
 import matplotlib.pyplot as plt
@@ -182,7 +187,7 @@ def _change_energy_units_to_meV(
     energies_dict: dict,
     max_energy_above_unperturbed: float,
     y_label: str,
-) -> Tuple[dict, float, str]:
+) -> tuple_type[dict, float, str]:
     """
     Converts energy values from eV to meV and format y label accordingly.
 
@@ -211,7 +216,7 @@ def _change_energy_units_to_meV(
 def _purge_data_dicts(
     disp_dict: dict,
     energies_dict: dict,
-) -> Tuple[dict, dict]:
+) -> tuple_type[dict, dict]:
     """
     Purges dictionaries of displacements and energies so that they are consistent
     (i.e. contain data for same distortions).
@@ -249,7 +254,7 @@ def _remove_high_energy_points(
     energies_dict: dict,
     max_energy_above_unperturbed: float,
     disp_dict: Optional[dict] = None,
-) -> Tuple[dict, dict]:
+) -> tuple_type[dict, dict]:
     """
     Remove points whose energy is higher than the reference (Unperturbed) by
     more than `max_energy_above_unperturbed`.
@@ -285,7 +290,7 @@ def _get_displacement_dict(
     energies_dict: dict,
     add_colorbar: bool,
     code: Optional[str] = "vasp",
-) -> Tuple[bool, dict, dict]:
+) -> tuple_type[bool, dict, dict]:
     """
     Parses structures of `defect_species` to calculate displacements between each
     of them and the reference configuration (Unperturbed). These displacements
@@ -635,7 +640,7 @@ def _get_line_colors(number_of_colors: int) -> list:
 
 def _setup_colormap(
     disp_dict: dict,
-) -> Tuple[mpl.colors.Colormap, float, float, float, mpl.colors.Normalize]:
+) -> tuple_type[mpl.colors.Colormap, float, float, float, mpl.colors.Normalize]:
     """
     Setup colormap to measure structural similarity between structures.
 
@@ -1234,7 +1239,7 @@ def _setup_plot(
     num_nearest_neighbours: Optional[int],
     neighbour_atom: Optional[str],
     **fig_kwargs,
-) -> Tuple[plt.Figure, plt.Axes]:
+) -> tuple_type[plt.Figure, plt.Axes]:
     _install_custom_font()
     fig, ax = plt.subplots(1, 1, **fig_kwargs)