Merge pull request #3 from LFL-Lab/shanto_dev

Update version to 0.2.1 and handle warnings from pyaedt

.gitignore

@@ -2,11 +2,11 @@
 to_do.md
 production.md
 new_features.md
+dev/*
 
 # Ignore documentation files
 docs/_build/html/.doctrees/
 
-
 # Ignore data files
 data/*
 database/contrib_to_do.md

docs/conf.py

@@ -8,7 +8,7 @@
 project = 'SQuADDS'
 copyright = '2023, Sadman Ahmed Shanto & Eli Levenson-Falk'
 author = 'Sadman Ahmed Shanto'
-release = "0.2"
+release = "0.2.1"
 
 # General configuration
 exclude_patterns = [

docs/source/release_notes.rst

@@ -1,6 +1,15 @@
 Release Notes
 =============
 
+Version 0.2.1 (2023-12-24)
+--------------------------
+
+* **Alpha Version 0.2.1**
+
+- Bug fixes:
+  - change "c" to "readout" in both code and database entries
+- Handled Warnings from pyaedt
+
 Version 0.2 (2023-12-24)
 --------------------------
 

next_release.md

@@ -1,15 +1,14 @@
 # Bug fixes:
 
-- [ ] change "c" to "readout" in both code and database entries
-- [ ] Handle `Warnings`
-- [ ] create proper train/test/splits and changing `SQuADDS_DB()` to always return all data
-- [ ] handling selected_data_type in select_COMPONENT methods
+- [x] change "c" to "readout" in both code and database entries
+- [x] Handle `Warnings`
 - [ ] fix the autodoc generator workflow
 
 ---
 
 # Features to add:
 
+- [ ] Versioning of the database and allowing people to download specific versions
 - [ ] Contribution via HuggingFace Hub API
 - [ ] HuggingFace Workflow Action for sending emails upon PR
 - [ ] Standardize the way we handle units for simulated results + impmelent necessary changes in backend
@@ -26,3 +25,8 @@
 - [ ] Update HF data cards
 
 ---
+
+# Documentation requests:
+
+- [ ] completed contribution tutorials
+- [ ] documenting reliable simulation methodologies we have learned and resources

setup.py

@@ -1,12 +1,12 @@
-from setuptools import setup, find_packages
+from setuptools import find_packages, setup
 
 # Read requirements from the requirements.txt file
 with open('requirements.txt') as f:
     required = f.read().splitlines()
 
 setup(
     name='SQuADDS',
-    version='0.2',
+    version='0.2.1',
     packages=find_packages(),
     description='Our project introduces an open-source database of programmatically generated and experimentally validated superconducting quantum device designs, accessible through a user-friendly interface, significantly lowering the entry barrier for research in this field.',
     long_description=open('README.md').read(),

squadds/__init__.py

@@ -1,12 +1,12 @@
 import os
 
-__version__ = '0.2'
+__version__ = '0.2.1'
 __license__ = "MIT License"
 __copyright__ = 'Sadman Ahmed Shanto, Eli Levenson-Falk 2023'
 __author__ = 'Sadman Ahmed Shanto, Eli Levenson-Falk'
 __status__ = "Alpha"
 __repo_path__ = os.path.dirname(os.path.abspath(__file__))
 
-from squadds.core.db import SQuADDS_DB
 from squadds.core.analysis import Analyzer
+from squadds.core.db import SQuADDS_DB
 from squadds.simulations.ansys_simulator import AnsysSimulator

squadds/components/coupled_systems.py

@@ -96,31 +96,6 @@ def make_cavity(self):
         """
         self.make_coupler()
         self.make_cpws()
-        # p = self.p
-
-        # cavity_opts = Dict()
-        # self.copier(cavity_opts, p.cavity_options)
-        # cavity_opts['cpw_options'].update({'pin_inputs':Dict(
-        #                                     start_pin = Dict(
-        #                                         component = self.qubit.name,
-        #                                         pin = 'c'
-        #                                     ),
-        #                                     end_pin = Dict(
-        #                                         component = '',
-        #                                         pin = ''
-        #                                     )
-        #                                     )})
-        # self.cavity = CavityFeedline(self.design, "{}_cavityfeedline".format(self.name), options = cavity_opts)
-        # self.add_qgeometry('path', self.cavity.qgeometry_dict('path'), layer = 1, chip = p.chip)
-        # self.add_qgeometry('poly', self.cavity.qgeometry_dict('poly'), layer = 1, chip = p.chip)
-
-
-    # def make_pins(self):
-    #     p = self.p
-    #     start_dict = self.cavity.get_pin('prime_start')
-    #     end_dict = self.cavity.get_pin('prime_end')
-    #     self.add_pin('prime_start', start_dict['points'], start_dict['width'], chip = p.chip)
-    #     self.add_pin('prime_end', end_dict['points'], end_dict['width'], chip = p.chip)
 
     def make_coupler(self):
         p = self.p

squadds/core/db.py

@@ -1,11 +1,21 @@
-from squadds.core.design_patterns import SingletonMeta
-from datasets import get_dataset_config_names
-from datasets import load_dataset
-from tabulate import tabulate
+import os
+import platform
 import pprint
+import shutil
+import sys
+import warnings
+
 import pandas as pd
+from datasets import get_dataset_config_names, load_dataset
+from tabulate import tabulate
+
+from squadds.core.design_patterns import SingletonMeta
 from squadds.core.utils import *
 
+#* HANDLE WARNING MESSAGES
+if sys.platform == "darwin":  # Checks if the operating system is macOS
+    warnings.filterwarnings("ignore", category=UserWarning, module="pyaedt") # ANSYS is not a mac product
+
 class SQuADDS_DB(metaclass=SingletonMeta):
 
     def __init__(self):
@@ -41,8 +51,35 @@ def supported_data_types(self):
             data_types.append(config.split("-")[2])
         return data_types
 
+    def _delete_cache(self):
+        # Determine the root cache directory for 'datasets'
+        # Default cache directory is '~/.cache/huggingface/datasets' on Unix systems
+        # and 'C:\\Users\\<username>\\.cache\\huggingface\\datasets' on Windows
+        cache_dir = os.path.join(os.path.expanduser("~"), ".cache", "huggingface", "datasets")
+
+        # Adjust the path for Windows if necessary
+        if platform.system() == "Windows":
+            cache_dir = os.path.join(os.path.expanduser("~"), "AppData", "Local", "huggingface", "datasets")
+
+        # Define the specific dataset cache directory name
+        dataset_cache_dir_name = "SQuADDS___s_qu_adds_db"
+
+        # Path for the specific dataset cache
+        dataset_cache_dir = os.path.join(cache_dir, dataset_cache_dir_name)
+
+        # Check if the cache directory exists
+        if os.path.exists(dataset_cache_dir):
+            try:
+                # Delete the dataset cache directory
+                shutil.rmtree(dataset_cache_dir)
+            except OSError as e:
+                print(f"Error occurred while deleting cache: {e}")
+        else:
+            pass
+
     def supported_config_names(self):
-        configs = get_dataset_config_names(self.repo_name)
+        self._delete_cache()
+        configs = get_dataset_config_names(self.repo_name, download_mode='force_redownload')
         return configs
 
     def get_configs(self):
@@ -342,7 +379,7 @@ def get_dataset(self, data_type=None, component=None, component_name=None):
         # Construct the configuration string based on the provided or default values
         config = f"{component}-{component_name}-{data_type}"
         try:
-            df = load_dataset(self.repo_name, config)["train"].to_pandas()
+            df = load_dataset(self.repo_name, config, cache_dir=None)["train"].to_pandas()
             self._set_target_param_keys(df)
             return flatten_df_second_level(df)
         except Exception as e:
@@ -372,7 +409,7 @@ def create_system_df(self):
     def create_qubit_cavity_df(self, qubit_df, cavity_df, merger_terms=None):
         for merger_term in merger_terms:
             # process the dfs to make them ready for merger
-            qubit_df[merger_term] = qubit_df['design_options'].apply(lambda x: x['connection_pads']['c'][merger_term])
+            qubit_df[merger_term] = qubit_df['design_options'].apply(lambda x: x['connection_pads']['readout'][merger_term])
             cavity_df[merger_term] = cavity_df['design_options'].apply(lambda x: x['claw_opts']['connection_pads']['readout'][merger_term])
 
         # Merging the data frames based on merger terms

squadds/interpolations/physics.py

@@ -1,9 +1,11 @@
-from squadds.interpolations.interpolator import Interpolator
-from squadds import Analyzer
 import pandas as pd
-from squadds.core.utils import *
 from pyEPR.calcs import Convert
 
+from squadds import Analyzer
+from squadds.core.utils import *
+from squadds.interpolations.interpolator import Interpolator
+
+
 def string_to_float(string):
     """
     Converts a string representation of a number to a float.
@@ -47,7 +49,7 @@ def get_design(self) -> pd.DataFrame:
 
         # Scale qubit and claw dimensions
         updated_cross_length = string_to_float(closest_qubit_claw_design["design_options_qubit"].iloc[0]['cross_length']) * alpha_scaling.values[0]
-        updated_claw_length = string_to_float(closest_qubit_claw_design["design_options_qubit"].iloc[0]["connection_pads"]["c"]['claw_length']) * g_scaling.values[0] * alpha_scaling.values[0]
+        updated_claw_length = string_to_float(closest_qubit_claw_design["design_options_qubit"].iloc[0]["connection_pads"]["readout"]['claw_length']) * g_scaling.values[0] * alpha_scaling.values[0]
 
         # Scaling logic for cavity-coupler designs
         # Filter DataFrame based on qubit coupling claw capacitance
@@ -108,13 +110,13 @@ def get_design(self) -> pd.DataFrame:
         # Update the qubit and cavity design options
         qubit_design_options = closest_qubit_claw_design["design_options_qubit"].iloc[0]
         qubit_design_options['cross_length'] = f"{updated_cross_length}um"
-        qubit_design_options["connection_pads"]["c"]['claw_length'] = f"{updated_claw_length}um"
+        qubit_design_options["connection_pads"]["readout"]['claw_length'] = f"{updated_claw_length}um"
         required_Lj = Convert.Lj_from_Ej(closest_qubit_claw_design['EJ'].iloc[0], units_in='GHz', units_out='nH') 
         qubit_design_options['aedt_hfss_inductance'] = required_Lj*1e-9
         qubit_design_options['aedt_q3d_inductance'] = required_Lj*1e-9
         qubit_design_options['q3d_inductance'] = required_Lj*1e-9
         qubit_design_options['hfss_inductance'] = required_Lj*1e-9
-        qubit_design_options["connection_pads"]["c"]['Lj'] = f"{required_Lj}nH"
+        qubit_design_options["connection_pads"]["readout"]['Lj'] = f"{required_Lj}nH"
 
         cavity_design_options = closest_cavity_cpw_design["design_options_cavity_claw"].iloc[0]
         cavity_design_options["cpw_opts"]['total_length'] = f"{updated_resonator_length}um"
@@ -133,6 +135,6 @@ def get_design(self) -> pd.DataFrame:
 
         # add the device design options to the dataframe
         interpolated_designs_df["design_options"] = [device_design_options]
-        interpolated_designs_df.iloc[0]["design_options"]["qubit_options"]["connection_pads"]["c"]["claw_cpw_length"] = "0um"
+        interpolated_designs_df.iloc[0]["design_options"]["qubit_options"]["connection_pads"]["readout"]["claw_cpw_length"] = "0um"
 
         return interpolated_designs_df

squadds/simulations/ansys_simulator.py

@@ -1,8 +1,14 @@
 # from utils import *
-from squadds.simulations.objects import *
-from qiskit_metal import draw, Dict, designs, MetalGUI
-from qiskit_metal.toolbox_metal import math_and_overrides
+import sys
+# warn using `warnings` if os is mac that this is not supported
+import warnings
+
 import qiskit_metal as metal
+from qiskit_metal import Dict, MetalGUI, designs, draw
+from qiskit_metal.toolbox_metal import math_and_overrides
+
+from squadds.simulations.objects import *
+
 
 class AnsysSimulator:
 
@@ -16,9 +22,14 @@ def __init__(self, analyzer, design_options):
         self.design = metal.designs.design_planar.DesignPlanar()
         self.gui = metal.MetalGUI(self.design)
         self.design.overwrite_enabled = True
+        self._warnings()
 
         print(f"selected system: {self.analyzer.selected_system}")
 
+    def _warnings(self):
+        if sys.platform == "darwin":  # Checks if the operating system is macOS
+            warnings.warn("`AnsysSimulator` is not supported on MacOS since Ansys does not have a Mac App. Please use Windows or Linux for simulations.")
+
     def get_design_screenshot(self):
         self.gui.rebuild()
         self.gui.autoscale()
@@ -61,7 +72,7 @@ def get_xmon_info(self, xmon_dict):
         a, fq = find_a_fq(cross2cpw, cross2ground, Lj)
         print(f"qubit anharmonicity = {round(a)} MHz \nqubit frequency = {round(fq, 3)} GHz")
         # return a json object
-        return dict("qubit_frequency_GHz": fq, "anharmonicity_MHz":a)
+        return {"qubit_frequency_GHz": fq, "anharmonicity_MHz": a}
 
     def plot_device(self, device_dict):
         self.design.delete_all_components()