Add popups confirming saves and calculation start

.codex/environments/environment.toml

@@ -0,0 +1,11 @@
+# THIS IS AUTOGENERATED. DO NOT EDIT MANUALLY
+version = 1
+name = "astra_gui"
+
+[setup]
+script = ""
+
+[[actions]]
+name = "Run"
+icon = "run"
+command = "hatch run all"

src/astra_gui/app.py

@@ -375,8 +375,8 @@ def menu(self) -> None:
 
     def get_process_from_notebooks(self, action: str, *args, **kwargs) -> None:
         """Get action from all the notebooks."""
-        for _notebook in self.notebooks:
-            getattr(_notebook, action)(*args, **kwargs)
+        for notebook in self.notebooks:
+            getattr(notebook, action)(*args, **kwargs)
 
     @log_operation('erasing in all notebooks')
     def erase(self) -> None:

src/astra_gui/close_coupling/bsplines.py

@@ -14,6 +14,7 @@
     missing_required_calculation_popup,
     missing_required_file_popup,
     required_field_popup,
+    save_success_popup,
     warning_popup,
 )
 from astra_gui.utils.required_fields_module import RequiredFields
@@ -170,7 +171,7 @@ def erase(self) -> None:
         self.num_bspline_entry.delete(0, tk.END)
         self.erase_plot_parameters()
 
-    def save(self) -> None:
+    def save(self, show_popup: bool = True) -> None:
         """Validate the current configuration and write all required input files."""
         # Saving EXTERNAL_BASIS_BSPLINES.INP
 
@@ -344,6 +345,8 @@ class PlotRequiredFields(RequiredFields):
 
             if self.path_exists(self.PRISM_FOLDER):
                 self.remove_path(self.PRISM_FOLDER)
+        if show_popup:
+            save_success_popup(f'{self.label} inputs saved successfully.')
 
     def load(self) -> None:
         """Populate the form from existing Astra or PRISM files."""

src/astra_gui/close_coupling/clscplng.py

@@ -12,7 +12,12 @@
 import numpy as np
 
 from astra_gui.utils.font_module import title_font
-from astra_gui.utils.popup_module import invalid_input_popup, missing_required_calculation_popup, required_field_popup
+from astra_gui.utils.popup_module import (
+    invalid_input_popup,
+    missing_required_calculation_popup,
+    required_field_popup,
+    save_success_popup,
+)
 from astra_gui.utils.required_fields_module import RequiredFields
 from astra_gui.utils.scrollable_module import ScrollableFrame
 
@@ -224,9 +229,10 @@ class ClscplngRequiredFields(RequiredFields):
 
         bsplines_page = cast('Bsplines', self.notebook.pages[4])
         if self.path_exists(bsplines_page.BSPLINES_INPUT_FILE):
-            bsplines_page.save()
+            bsplines_page.save(show_popup=False)
 
         self.get_cc_data()
+        save_success_popup(f'{self.label} inputs saved successfully.')
 
     def load(self) -> None:
         """Populate the form based on an existing CLSCPLNG.INP file."""

src/astra_gui/close_coupling/dalton.py

@@ -9,6 +9,7 @@
 from tkinter import ttk
 from typing import TYPE_CHECKING, cast
 
+from astra_gui.utils.popup_module import save_success_popup
 from astra_gui.utils.required_fields_module import RequiredFields
 
 from .cc_notebook_page_module import CcNotebookPage
@@ -356,6 +357,7 @@ class DaltonRequiredFields(RequiredFields):
                 self.notebook.dalton_data[occ_option] = ''
 
         self.save_file(self.DALTON_FILE, self.notebook.dalton_data, '!', blank_lines=False)
+        save_success_popup(f'{self.label} inputs saved successfully.')
 
     def erase(self) -> None:
         """Reset Dalton form fields to their defaults."""

src/astra_gui/close_coupling/lucia.py

@@ -19,6 +19,7 @@
     missing_output_popup,
     missing_required_calculation_popup,
     required_field_popup,
+    save_success_popup,
     warning_popup,
 )
 from astra_gui.utils.required_fields_module import RequiredFields
@@ -292,7 +293,7 @@ def get_new_dimension_requirement() -> int:
 
             error_string += '\nUpdating LUCIA.INP and running Hamiltonian calculation again.'
 
-            self.save()
+            self.save(show_popup=False)
 
             if self.sa_var.get():
                 self.run_astra_setup('-run eht --sa', 'State average')
@@ -758,7 +759,7 @@ def get_title(self) -> str:
 
         return '\n'.join(title_lines)
 
-    def save(self) -> None:
+    def save(self, show_popup: bool = True) -> None:
         """Validate the Lucia form and update the associated input files."""
 
         @dataclass
@@ -812,6 +813,8 @@ class LuciaRequiredFields(RequiredFields):
             commands['lz2'] = 'LZ2'
 
         self.save_file(self.LUCIA_FILE, commands, '*', blank_lines=False)
+        if show_popup:
+            save_success_popup(f'{self.label} inputs saved successfully.')
 
     def save_sa(self) -> None:
         """Persist the state-averaged Lucia configuration to disk."""

src/astra_gui/close_coupling/molecule.py

@@ -14,7 +14,7 @@
 
 from astra_gui.utils.font_module import title_font
 from astra_gui.utils.notebook_module import NotebookPage
-from astra_gui.utils.popup_module import required_field_popup
+from astra_gui.utils.popup_module import required_field_popup, save_success_popup
 from astra_gui.utils.symmetry_module import Symmetry
 from astra_gui.utils.table_module import Table
 
@@ -334,6 +334,7 @@ def save(self) -> None:
         )
         self.notebook.molecule_data['number_atoms'] = np.shape(self.get_all_atoms()[1])[0]
         self.notebook.molecule_data['linear_molecule'] = self.is_molecule_linear()
+        save_success_popup(f'{self.label} inputs saved successfully.')
 
     def plot_molecule(self) -> None:
         """Render the molecule via Molden if the environment supports it."""

src/astra_gui/time_dependent/pulse.py

@@ -13,7 +13,7 @@
 
 from astra_gui.utils.font_module import bold_font
 from astra_gui.utils.notebook_module import NotebookPage
-from astra_gui.utils.popup_module import invalid_input_popup, warning_popup
+from astra_gui.utils.popup_module import invalid_input_popup, save_success_popup, warning_popup
 from astra_gui.utils.required_fields_module import RequiredFields
 from astra_gui.utils.table_module import Table
 
@@ -1153,6 +1153,7 @@ def save(self) -> None:
 
         for pulse_name, pulse_tabulation_data in pulse_tabulation.items():
             self.save_file_from_blank(Path(f'{pulse_name}.DAT'), pulse_tabulation_data)
+        save_success_popup(f'{self.label} inputs saved successfully.')
 
     def print_irrep(self, _new_sym: bool = False) -> None:
         """Relay symmetry changes to both pulse configuration frames."""

src/astra_gui/time_independent/structural.py

@@ -566,11 +566,15 @@ def get_commands(self) -> str:
 
                     susc_dp_length_vals = ','.join([self.dp_labels[ind] for ind in range(3) if susc_dp_vals[ind]])
                     lines.extend([
-                        f'astraDipoleTransition -gif ASTRA.INP -op {susc_dp_length_vals} '
-                        f'-ketsym {susc_entries[0]} -trans bb {cap_text}',
-                        f'astraSusceptibility -gif ASTRA.INP -op {susc_dp_length_vals} '
-                        f'-ketsym {susc_entries[0]} -trans bb -emin {susc_entries[1]} '
-                        f'-emax {susc_entries[2]} -ne {susc_entries[3]} {cap_text}',
+                        (
+                            f'astraDipoleTransition -gif ASTRA.INP -op {susc_dp_length_vals} '
+                            f'-ketsym {susc_entries[0]} -trans bb {cap_text}'
+                        ),
+                        (
+                            f'astraSusceptibility -gif ASTRA.INP -op {susc_dp_length_vals} '
+                            f'-ketsym {susc_entries[0]} -trans bb -emin {susc_entries[1]} '
+                            f'-emax {susc_entries[2]} -ne {susc_entries[3]} {cap_text}'
+                        ),
                     ])
 
                 if any(susc_dp_vals[3:]):
@@ -579,11 +583,15 @@ def get_commands(self) -> str:
 
                     susc_dp_velocity_vals = ','.join([self.dp_labels[ind] for ind in range(3, 6) if susc_dp_vals[ind]])
                     lines.extend([
-                        f'astraDipoleTransition -gif ASTRA.INP -op {susc_dp_velocity_vals} '
-                        f'-ketsym {susc_entries[0]} -trans bb {cap_text}',
-                        f'astraSusceptibility -gif ASTRA.INP -op {susc_dp_velocity_vals} '
-                        f'-ketsym {susc_entries[0]} -trans bb -emin {susc_entries[1]} '
-                        f'-emax {susc_entries[2]} -ne {susc_entries[3]} {cap_text}',
+                        (
+                            f'astraDipoleTransition -gif ASTRA.INP -op {susc_dp_velocity_vals} '
+                            f'-ketsym {susc_entries[0]} -trans bb {cap_text}'
+                        ),
+                        (
+                            f'astraSusceptibility -gif ASTRA.INP -op {susc_dp_velocity_vals} '
+                            f'-ketsym {susc_entries[0]} -trans bb -emin {susc_entries[1]} '
+                            f'-emax {susc_entries[2]} -ne {susc_entries[3]} {cap_text}'
+                        ),
                     ])
 
         return self.add_idle_thread_and_join_lines(lines)

src/astra_gui/time_independent/ti_notebook_page_module.py

@@ -12,7 +12,7 @@
 
 from astra_gui.utils.font_module import bold_font
 from astra_gui.utils.notebook_module import NotebookPage
-from astra_gui.utils.popup_module import missing_symmetry_popup, required_field_popup
+from astra_gui.utils.popup_module import missing_symmetry_popup, required_field_popup, save_success_popup
 from astra_gui.utils.scrollable_module import ScrollableFrame, ScrollableTreeview
 
 if TYPE_CHECKING:
@@ -242,6 +242,7 @@ def save(self) -> None:
             return
 
         self.save_script(self.SCRIPT_FILE, commands, f'{self.label} calculation', convert_cs_irreps=True)
+        save_success_popup(f'{self.label} inputs saved successfully.')
 
     def run(self) -> None:
         """Execute the notebook script using the shared runner."""

src/astra_gui/utils/notebook_module.py

@@ -27,6 +27,7 @@
     invalid_input_popup,
     missing_script_file_popup,
     required_field_popup,
+    started_calculation_popup,
 )
 from .symmetry_module import Symmetry
 
@@ -316,8 +317,7 @@ def get_cpu_stats_data() -> list[str]:
                 lines = stdout.split('\n')
             else:
                 try:
-                    with Path(proc_stat_file).open('r') as f:
-                        lines = f.read().split('\n')
+                    lines = Path(proc_stat_file).read_text().split('\n')
                 except FileNotFoundError:
                     if system() == 'Darwin':
                         logger.warning(
@@ -577,6 +577,10 @@ def check_programs_helper(script_name: str) -> None:
                     return
                 if not run[0]:
                     return
+            self.controller.after(
+                0,
+                lambda: started_calculation_popup(f'{script_name} started running.'),
+            )
 
             if self.ssh_client:
                 remote_command = (

src/astra_gui/utils/popup_module.py

@@ -88,6 +88,16 @@ def completed_calculation_popup(message: str) -> None:
     messagebox.showinfo('Completed Calculation!', message)
 
 
+def started_calculation_popup(message: str) -> None:
+    """Display a start message for long-running calculations."""
+    messagebox.showinfo('Calculation Started', message)
+
+
+def save_success_popup(message: str) -> None:
+    """Display a confirmation message after saving files."""
+    messagebox.showinfo('Files Saved', message)
+
+
 def missing_script_file_popup(name: str) -> None:
     """Inform that a required script file has not been saved yet."""
     messagebox.showerror('Missing script file!', f'Please save the script for {name} before running!')