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Executor user interface #458

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Executor user interface #458

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jan-janssen
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@jan-janssen jan-janssen commented Oct 28, 2024

Summary by CodeRabbit

Release Notes

  • New Features

    • Enhanced Executor and FileExecutor classes with improved configuration options for the pysqa backend.
    • Introduced a new function for creating file executors with validation for resource parameters.
  • Bug Fixes

    • Updated parameter names to pysqa_config_directory for clarity in configuration handling.
  • Tests

    • Adjusted test cases to reflect changes in executor instantiation and expanded resource dictionary structure.
  • Documentation

    • Updated docstrings and parameter descriptions to align with new configurations.

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📥 Commits

Files that changed from the base of the PR and between 74c1b7f and 434fe06.

Walkthrough

The pull request introduces modifications across several files in the executorlib module, primarily enhancing the functionality and error handling of the Executor and FileExecutor classes. Key changes include the addition of a new optional parameter, pysqa_config_directory, in the constructors of both classes, alongside improved validation for resource parameters. The execute_tasks_h5 function is updated to reflect the new parameter naming convention. Additionally, corresponding test files are adjusted to ensure compatibility with these changes, particularly in how executors are instantiated and resource dictionaries are structured.

Changes

File Change Summary
executorlib/__init__.py - Added imports for create_file_executor.
- Updated Executor constructor and __new__ method to include pysqa_config_directory.
- Enhanced control flow for pysqa backend.
executorlib/cache/executor.py - Added imports for input validation functions.
- Updated FileExecutor constructor to use pysqa_config_directory.
- Introduced create_file_executor function with validation checks.
executorlib/cache/shared.py - Renamed config_directory parameter to pysqa_config_directory in execute_tasks_h5 function and updated internal logic accordingly.
tests/test_cache_executor_pysqa_flux.py - Changed import from FileExecutor to Executor.
- Updated test instantiation to use "pysqa_flux" backend.
tests/test_cache_executor_serial.py - Expanded resource_dict in multiple test methods to include new keys for resource management.
tests/test_cache_executor_mpi.py - Expanded resource_dict in test_executor method to include additional keys for resource management.

Possibly related PRs

🐰 In the code, we hop and play,
With pysqa leading the way!
New paths for config, bright and clear,
Error checks now bring us cheer!
In tests, we leap, all set to go,
With each update, our skills will grow! 🐇✨


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Actionable comments posted: 2

🧹 Outside diff range and nitpick comments (3)
executorlib/cache/executor.py (1)

45-45: Consider enhancing the pysqa_config_directory documentation.

While the documentation is clear, it would be helpful to specify:

  • The expected structure or format of the config directory
  • Any required files within this directory
  • Example path or reference to pysqa documentation
tests/test_cache_executor_serial.py (1)

77-84: LGTM! Consider extracting the default resource configuration.

The resource dictionary structure is correct and includes all necessary parameters with appropriate default values.

To reduce code duplication, consider extracting this default configuration to a class-level constant or helper method:

class TestCacheExecutorSerial(unittest.TestCase):
    DEFAULT_RESOURCE_DICT = {
        "cores": 1,
        "threads_per_core": 1,
        "gpus_per_core": 0,
        "cwd": None,
        "openmpi_oversubscribe": False,
        "slurm_cmd_args": [],
    }
executorlib/cache/shared.py (1)

55-56: Add docstring for the backend parameter.

The docstring for pysqa_config_directory is clear, but the backend parameter lacks documentation. Please add a description to clarify its purpose and possible values.

        pysqa_config_directory (str, optional): path to the pysqa config directory (only for pysqa based backend).
-        backend (str, optional): name of the backend used to spawn tasks.
+        backend (str, optional): name of the backend used to spawn tasks (e.g., "pysqa_flux", "serial").

Also applies to: 69-69

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between de646f9 and 55dd86a.

📒 Files selected for processing (5)
  • executorlib/init.py (6 hunks)
  • executorlib/cache/executor.py (4 hunks)
  • executorlib/cache/shared.py (3 hunks)
  • tests/test_cache_executor_pysqa_flux.py (2 hunks)
  • tests/test_cache_executor_serial.py (3 hunks)
🔇 Additional comments (15)
tests/test_cache_executor_pysqa_flux.py (1)

33-35: Verify if pysqa_config_directory parameter is needed.

While the backend name has been correctly updated to "pysqa_flux", the AI summary mentions a new optional parameter pysqa_config_directory. Please verify if this parameter should be provided here.

Let's check how this parameter is used in other test files:

#!/bin/bash
# Description: Check how pysqa_config_directory is used in other test files
rg -A 5 "pysqa_config_directory" "tests/"

# Description: Check other Executor instantiations with pysqa backends
ast-grep --pattern 'Executor(
  $$$
  backend="pysqa_$_"
  $$$
)'
executorlib/cache/executor.py (5)

10-15: LGTM: Well-organized imports for input validation.

The new imports are properly organized and specifically target the required validation functions.


32-32: LGTM: Clean addition of pysqa configuration parameter.

The new optional parameter is well-placed and properly typed.


62-71: Verify that removing validated parameters doesn't break downstream usage.

While the validation checks are good, removing these parameters from the resource dictionary might affect any code that expects them later in the execution pipeline.

#!/bin/bash
# Search for any code that might expect these parameters
rg -A 5 'resource_dict\[["'\''](?:threads_per_core|gpus_per_core|openmpi_oversubscribe|slurm_cmd_args)["\'']\]' --type py

85-85: Verify consistent parameter naming across the codebase.

The parameter rename from config_directory to pysqa_config_directory needs to be consistently applied.

#!/bin/bash
# Search for any remaining uses of the old parameter name
rg 'config_directory(?!.*pysqa)' --type py

# Search for the new parameter name to ensure consistent usage
rg 'pysqa_config_directory' --type py

51-55: Verify the default resource values align with system requirements.

The new default values need verification:

  • threads_per_core: 1 - Confirm this is suitable for your target systems
  • gpus_per_core: 0 - Verify this default won't cause issues on GPU-enabled systems
  • openmpi_oversubscribe: False - Ensure this aligns with your MPI configuration
✅ Verification successful

Let me try another search strategy to find relevant resource configurations.


Based on the comprehensive search results, I can now generate the final response:

Default resource values are correctly aligned with system requirements

The default values are verified to be appropriate based on the codebase evidence:

  • threads_per_core: 1 is the correct default as the codebase explicitly validates this value through check_threads_per_core() which enforces single-threaded operation for MPI compatibility
  • gpus_per_core: 0 is appropriate as GPU allocation is optional and handled specifically by SLURM/Flux when needed
  • openmpi_oversubscribe: False is the safe default, with explicit support in both MPI and SLURM spawners
  • slurm_cmd_args: [] provides flexibility for SLURM-specific customization when needed

The values are consistently used across the test suite and are properly validated by the input checking system.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Search for any existing resource configurations that might conflict
rg -l 'threads_per_core|gpus_per_core|openmpi_oversubscribe' --type py

Length of output: 1495


Script:

#!/bin/bash
# Search for resource-related configurations with context
rg -A 5 -B 5 'threads_per_core|gpus_per_core|openmpi_oversubscribe|slurm_cmd_args' --type py

# Also check for any test files that might validate these defaults
fd test_.*\.py --exec grep -l 'threads_per_core\|gpus_per_core\|openmpi_oversubscribe\|slurm_cmd_args' {} \;

Length of output: 60217

tests/test_cache_executor_serial.py (2)

125-132: Duplicate resource configuration detected.

This resource dictionary is identical to the one in test_executor_function. Using the suggested DEFAULT_RESOURCE_DICT would eliminate this duplication.


173-180: Duplicate resource configuration detected.

This resource dictionary is identical to the previous instances. Using the suggested DEFAULT_RESOURCE_DICT would eliminate this duplication.

Let's verify that all test methods using execute_tasks_h5 have been updated:

#!/bin/bash
# Search for all test methods using execute_tasks_h5 to ensure consistent resource_dict usage
rg -l 'execute_tasks_h5' tests/ | xargs rg 'def test_.*'
executorlib/cache/shared.py (1)

123-124: ⚠️ Potential issue

Fix parameter name mismatch in execute_function call.

There's an inconsistency between the parameter names. The function signature uses pysqa_config_directory, but it's passed as config_directory to execute_function. This should be updated to maintain consistency.

                        resource_dict=task_resource_dict,
-                        config_directory=pysqa_config_directory,
+                        pysqa_config_directory=pysqa_config_directory,
                        backend=backend,

Let's verify if this parameter name is consistent across the codebase:

executorlib/__init__.py (6)

5-7: Addition of _check_executor import is appropriate

The import of _check_executor from executorlib.standalone.inputcheck is necessary for the validation logic added later in the code.


8-10: Addition of _check_nested_flux_executor import is appropriate

The import of _check_nested_flux_executor from executorlib.standalone.inputcheck is necessary for validating nested Flux executors in the code.


56-56: Documentation of pysqa_config_directory parameter

The addition of the pysqa_config_directory parameter in the docstring of the Executor class is clear and correctly describes its purpose.


105-105: Addition of pysqa_config_directory to __init__ method

The parameter pysqa_config_directory is appropriately added to the __init__ method signature, allowing users to specify the path to the pysqa configuration directory when initializing the Executor.


126-126: Addition of pysqa_config_directory to __new__ method

Including pysqa_config_directory in the __new__ method ensures that it is available during the creation of a new Executor instance. This is appropriate and consistent with its usage.


174-174: Documentation of pysqa_config_directory in __new__ docstring

The docstring for the __new__ method correctly includes the pysqa_config_directory parameter, providing clarity on its purpose and usage.

@@ -5,7 +5,7 @@

try:
import flux.job
from executorlib import FileExecutor
from executorlib import Executor
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💡 Codebase verification

FileExecutor still exists in other test files and needs to be updated

The import change in tests/test_cache_executor_pysqa_flux.py is correct, but there are other test files that still use FileExecutor:

  • tests/test_cache_executor_serial.py
  • tests/test_cache_executor_mpi.py

These files should also be updated to use the new Executor class for consistency with the module's evolution.

🔗 Analysis chain

LGTM: Import statement updated correctly.

The change from FileExecutor to Executor aligns with the module's evolution.

Let's verify this change is consistent across the codebase:

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for any remaining FileExecutor imports that might need updating
rg "from executorlib.*import.*FileExecutor"

Length of output: 107


Script:

#!/bin/bash
# Let's try a broader search to find any FileExecutor references
rg "FileExecutor"

# Also search for Executor class usage patterns
ast-grep --pattern 'Executor($$$)'

# And check all import statements related to executorlib
rg "from executorlib.*import"

Length of output: 20989

Comment on lines 209 to 239
elif "pysqa_" in backend and not plot_dependency_graph:
if cache_directory is None:
cache_directory = "executorlib_cache"
if max_workers != 1:
raise ValueError(
"The number of workers cannot be controlled with the pysqa based backend."
)
if max_cores != 1:
raise ValueError(
"The number of cores cannot be controlled with the pysqa based backend."
)
if hostname_localhost is not None:
raise ValueError(
"The option to connect to hosts based on their hostname is not available with the pysqa based backend."
)
if block_allocation:
raise ValueError(
"The option block_allocation is not available with the pysqa based backend."
)
if init_function is not None:
raise ValueError(
"The option to specify an init_function is not available with the pysqa based backend."
)
_check_executor(executor=flux_executor)
_check_nested_flux_executor(nested_flux_executor=flux_executor_nesting)
return FileExecutor(
cache_directory=cache_directory,
resource_dict=resource_dict,
pysqa_config_directory=pysqa_config_directory,
backend=backend.split("pysqa_")[-1],
)
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🛠️ Refactor suggestion

Suggestion to consolidate repetitive error checks

In the conditional block for the 'pysqa_' backend, multiple if statements individually raise ValueError exceptions for unsupported options. Consider consolidating these checks to enhance code readability and maintainability.

Apply the following refactoring:

            elif "pysqa_" in backend and not plot_dependency_graph:
                if cache_directory is None:
                    cache_directory = "executorlib_cache"
-               if max_workers != 1:
-                   raise ValueError(
-                       "The number of workers cannot be controlled with the pysqa based backend."
-                   )
-               if max_cores != 1:
-                   raise ValueError(
-                       "The number of cores cannot be controlled with the pysqa based backend."
-                   )
-               if hostname_localhost is not None:
-                   raise ValueError(
-                       "The option to connect to hosts based on their hostname is not available with the pysqa based backend."
-                   )
-               if block_allocation:
-                   raise ValueError(
-                       "The option block_allocation is not available with the pysqa based backend."
-                   )
-               if init_function is not None:
-                   raise ValueError(
-                       "The option to specify an init_function is not available with the pysqa based backend."
-                   )
+               unsupported_options = []
+               if max_workers != 1:
+                   unsupported_options.append("max_workers")
+               if max_cores != 1:
+                   unsupported_options.append("max_cores")
+               if hostname_localhost is not None:
+                   unsupported_options.append("hostname_localhost")
+               if block_allocation:
+                   unsupported_options.append("block_allocation")
+               if init_function is not None:
+                   unsupported_options.append("init_function")
+               if unsupported_options:
+                   raise ValueError(
+                       f"The following options are not available with the pysqa-based backend: {', '.join(unsupported_options)}."
+                   )
                _check_executor(executor=flux_executor)
                _check_nested_flux_executor(nested_flux_executor=flux_executor_nesting)
                return FileExecutor(
                    cache_directory=cache_directory,
                    resource_dict=resource_dict,
                    pysqa_config_directory=pysqa_config_directory,
                    backend=backend.split("pysqa_")[-1],
                )

This refactoring gathers unsupported options into a list and raises a single ValueError, improving clarity and reducing repetitive code.

📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
elif "pysqa_" in backend and not plot_dependency_graph:
if cache_directory is None:
cache_directory = "executorlib_cache"
if max_workers != 1:
raise ValueError(
"The number of workers cannot be controlled with the pysqa based backend."
)
if max_cores != 1:
raise ValueError(
"The number of cores cannot be controlled with the pysqa based backend."
)
if hostname_localhost is not None:
raise ValueError(
"The option to connect to hosts based on their hostname is not available with the pysqa based backend."
)
if block_allocation:
raise ValueError(
"The option block_allocation is not available with the pysqa based backend."
)
if init_function is not None:
raise ValueError(
"The option to specify an init_function is not available with the pysqa based backend."
)
_check_executor(executor=flux_executor)
_check_nested_flux_executor(nested_flux_executor=flux_executor_nesting)
return FileExecutor(
cache_directory=cache_directory,
resource_dict=resource_dict,
pysqa_config_directory=pysqa_config_directory,
backend=backend.split("pysqa_")[-1],
)
elif "pysqa_" in backend and not plot_dependency_graph:
if cache_directory is None:
cache_directory = "executorlib_cache"
unsupported_options = []
if max_workers != 1:
unsupported_options.append("max_workers")
if max_cores != 1:
unsupported_options.append("max_cores")
if hostname_localhost is not None:
unsupported_options.append("hostname_localhost")
if block_allocation:
unsupported_options.append("block_allocation")
if init_function is not None:
unsupported_options.append("init_function")
if unsupported_options:
raise ValueError(
f"The following options are not available with the pysqa-based backend: {', '.join(unsupported_options)}."
)
_check_executor(executor=flux_executor)
_check_nested_flux_executor(nested_flux_executor=flux_executor_nesting)
return FileExecutor(
cache_directory=cache_directory,
resource_dict=resource_dict,
pysqa_config_directory=pysqa_config_directory,
backend=backend.split("pysqa_")[-1],
)

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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
executorlib/cache/executor.py (1)

Line range hint 36-46: Update resource_dict documentation

The docstring for resource_dict should be updated to include the new parameters:

  • threads_per_core
  • gpus_per_core
  • openmpi_oversubscribe
  • slurm_cmd_args
             resource_dict (dict): A dictionary of resources required by the task. With the following keys:
                              - cores (int): number of MPI cores to be used for each function call
+                             - threads_per_core (int): number of threads per core
+                             - gpus_per_core (int): number of GPUs per core
+                             - openmpi_oversubscribe (bool): whether to allow OpenMPI oversubscription
+                             - slurm_cmd_args (list): additional SLURM command line arguments
                              - cwd (str/None): current working directory where the parallel python task is executed
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 55dd86a and 72303a4.

📒 Files selected for processing (1)
  • executorlib/cache/executor.py (4 hunks)
🔇 Additional comments (5)
executorlib/cache/executor.py (5)

10-15: LGTM: Well-organized imports

The new validation function imports are properly organized and follow Python's import style guidelines.


31-32: LGTM: Improved parameter naming

The rename from config_directory to pysqa_config_directory improves clarity by explicitly indicating its purpose.


50-55: LGTM: Sensible default resource values

The new default values are conservative and safe:

  • threads_per_core: 1 - Standard single-threading
  • gpus_per_core: 0 - No GPU by default
  • openmpi_oversubscribe: False - Safe default for MPI
  • slurm_cmd_args: [] - No additional args by default

84-87: LGTM: Consistent parameter handling

The pysqa_config_directory is correctly passed through to the execution function.


62-71: 🛠️ Refactor suggestion

Consider preserving validated values

The validation functions might normalize or modify the input values, but these potentially modified values are lost since we delete the keys immediately after validation.

Consider storing the validated values if they're needed later:

-        check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
-        del resource_dict["threads_per_core"]
+        validated_threads = check_threads_per_core(threads_per_core=resource_dict.pop("threads_per_core"))
+        # Store in class if needed: self._threads_per_core = validated_threads

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Actionable comments posted: 3

🧹 Outside diff range and nitpick comments (2)
tests/test_cache_executor_mpi.py (1)

35-42: Consider documenting the resource configuration parameters.

While the expanded resource dictionary provides more control over execution parameters, it would be helpful to add a comment explaining the purpose and impact of each parameter, especially for parameters like openmpi_oversubscribe and slurm_cmd_args which might not be immediately obvious to users.

 with FileExecutor(
     resource_dict={
+        # Number of MPI processes to spawn
         "cores": 2,
+        # Number of OpenMP threads per MPI process
         "threads_per_core": 1,
+        # Number of GPUs allocated per core (0 for CPU-only execution)
         "gpus_per_core": 0,
+        # Working directory for execution (None uses default)
         "cwd": None,
+        # Controls OpenMPI process placement behavior
         "openmpi_oversubscribe": False,
+        # Additional arguments passed to SLURM scheduler
         "slurm_cmd_args": [],
     },
executorlib/cache/executor.py (1)

Line range hint 37-48: Enhance docstring with resource dictionary key descriptions.

The docstring should document all expected keys in the resource dictionary and their purposes.

Consider updating the docstring:

             resource_dict (dict): A dictionary of resources required by the task. With the following keys:
                               - cores (int): number of MPI cores to be used for each function call
                               - cwd (str/None): current working directory where the parallel python task is executed
+                              - threads_per_core (int, optional): number of threads per core
+                              - gpus_per_core (int, optional): number of GPUs per core
+                              - openmpi_oversubscribe (bool, optional): whether to allow oversubscription
+                              - slurm_cmd_args (list, optional): additional SLURM command arguments
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 72303a4 and 4624c0f.

📒 Files selected for processing (5)
  • executorlib/init.py (5 hunks)
  • executorlib/cache/executor.py (4 hunks)
  • tests/test_cache_executor_mpi.py (1 hunks)
  • tests/test_cache_executor_pysqa_flux.py (2 hunks)
  • tests/test_cache_executor_serial.py (6 hunks)
🚧 Files skipped from review as they are similar to previous changes (3)
  • executorlib/init.py
  • tests/test_cache_executor_pysqa_flux.py
  • tests/test_cache_executor_serial.py
🔇 Additional comments (2)
tests/test_cache_executor_mpi.py (1)

35-42: Validate resource dictionary structure.

The resource dictionary structure should be verified against the executor's requirements. Let's ensure this configuration is consistent with the executor's implementation.

#!/bin/bash
# Search for resource dictionary validation in the executor implementation
ast-grep --pattern 'def validate_resource_dict($params) {
  $$$
}'

# Look for other resource dictionary usage patterns
rg 'resource_dict.*=.*{' --type python
executorlib/cache/executor.py (1)

10-17: LGTM: Well-organized imports for input validation.

The new imports are properly organized and specifically target the required validation functions.

Comment on lines +35 to +42
resource_dict={
"cores": 2,
"threads_per_core": 1,
"gpus_per_core": 0,
"cwd": None,
"openmpi_oversubscribe": False,
"slurm_cmd_args": [],
},
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💡 Codebase verification

Additional test coverage needed for resource parameters

The search results confirm that while these parameters are used in various test files, there's insufficient testing of their actual behavior:

  1. threads_per_core is only tested for invalid input in test_executor_backend_mpi.py
  2. openmpi_oversubscribe is only used with default False value in test setups
  3. cwd is only set to None in tests, no validation of custom working directories
  4. slurm_cmd_args appears in test configurations but has no tests verifying its effect

Suggested test additions:

  • Test MPI behavior with different threads_per_core values
  • Verify process behavior when openmpi_oversubscribe=True
  • Validate execution in custom working directories
  • Test the impact of custom SLURM command arguments
🔗 Analysis chain

Verify test coverage for resource parameters.

The test only verifies basic MPI functionality but doesn't validate the behavior of the new resource parameters. Consider adding test cases that verify:

  1. Impact of different threads_per_core values
  2. Behavior with openmpi_oversubscribe=True
  3. Custom working directory via cwd
  4. Custom SLURM arguments

Let's check if there are other tests covering these scenarios:

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Search for tests that might cover these parameters
rg -l 'threads_per_core|openmpi_oversubscribe|slurm_cmd_args' tests/

Length of output: 211


Script:

#!/bin/bash
# Search for test files containing resource parameters with proper regex
rg -l "resource_dict.*threads_per_core|openmpi_oversubscribe|slurm_cmd_args" tests/

# Search for test files containing resource dictionary usage
rg "resource_dict\s*=\s*{" tests/

# Look for test files that might test MPI functionality
rg -l "mpi|MPI" tests/

# Check test file content for resource parameter testing
rg -A 5 "def test.*mpi" tests/

Length of output: 5467


Script:

#!/bin/bash
# Let's examine the content of test files that might contain resource parameter testing
rg -C 10 "threads_per_core|openmpi_oversubscribe|cwd.*=|slurm_cmd_args" tests/test_shared_communication.py tests/test_cache_executor_mpi.py tests/test_executor_backend_mpi.py

# Also check for any assertions related to these parameters
rg -B 5 "assert.*threads_per_core|assert.*openmpi_oversubscribe|assert.*cwd|assert.*slurm" tests/

Length of output: 6681

Comment on lines 51 to 60
check_oversubscribe(oversubscribe=resource_dict["openmpi_oversubscribe"])
check_command_line_argument_lst(
command_line_argument_lst=resource_dict["slurm_cmd_args"]
)
check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
check_gpus_per_worker(gpus_per_worker=resource_dict["gpus_per_core"])
del resource_dict["threads_per_core"]
del resource_dict["gpus_per_core"]
del resource_dict["openmpi_oversubscribe"]
del resource_dict["slurm_cmd_args"]
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⚠️ Potential issue

Add error handling for missing resource dictionary keys.

The code assumes all keys exist in the resource dictionary and removes them after validation. This could lead to KeyError exceptions if any keys are missing.

Consider adding defensive checks:

-        check_oversubscribe(oversubscribe=resource_dict["openmpi_oversubscribe"])
-        check_command_line_argument_lst(
-            command_line_argument_lst=resource_dict["slurm_cmd_args"]
-        )
-        check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
-        check_gpus_per_worker(gpus_per_worker=resource_dict["gpus_per_core"])
-        del resource_dict["threads_per_core"]
-        del resource_dict["gpus_per_core"]
-        del resource_dict["openmpi_oversubscribe"]
-        del resource_dict["slurm_cmd_args"]
+        if resource_dict is not None:
+            oversubscribe = resource_dict.get("openmpi_oversubscribe")
+            if oversubscribe is not None:
+                check_oversubscribe(oversubscribe=oversubscribe)
+                del resource_dict["openmpi_oversubscribe"]
+
+            cmd_args = resource_dict.get("slurm_cmd_args")
+            if cmd_args is not None:
+                check_command_line_argument_lst(command_line_argument_lst=cmd_args)
+                del resource_dict["slurm_cmd_args"]
+
+            threads = resource_dict.get("threads_per_core")
+            if threads is not None:
+                check_threads_per_core(threads_per_core=threads)
+                del resource_dict["threads_per_core"]
+
+            gpus = resource_dict.get("gpus_per_core")
+            if gpus is not None:
+                check_gpus_per_worker(gpus_per_worker=gpus)
+                del resource_dict["gpus_per_core"]
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
check_oversubscribe(oversubscribe=resource_dict["openmpi_oversubscribe"])
check_command_line_argument_lst(
command_line_argument_lst=resource_dict["slurm_cmd_args"]
)
check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
check_gpus_per_worker(gpus_per_worker=resource_dict["gpus_per_core"])
del resource_dict["threads_per_core"]
del resource_dict["gpus_per_core"]
del resource_dict["openmpi_oversubscribe"]
del resource_dict["slurm_cmd_args"]
if resource_dict is not None:
oversubscribe = resource_dict.get("openmpi_oversubscribe")
if oversubscribe is not None:
check_oversubscribe(oversubscribe=oversubscribe)
del resource_dict["openmpi_oversubscribe"]
cmd_args = resource_dict.get("slurm_cmd_args")
if cmd_args is not None:
check_command_line_argument_lst(command_line_argument_lst=cmd_args)
del resource_dict["slurm_cmd_args"]
threads = resource_dict.get("threads_per_core")
if threads is not None:
check_threads_per_core(threads_per_core=threads)
del resource_dict["threads_per_core"]
gpus = resource_dict.get("gpus_per_core")
if gpus is not None:
check_gpus_per_worker(gpus_per_worker=gpus)
del resource_dict["gpus_per_core"]

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Actionable comments posted: 3

🧹 Outside diff range and nitpick comments (1)
executorlib/cache/executor.py (1)

Line range hint 38-49: Update docstring to reflect parameter changes.

The docstring needs updating to:

  1. Add type hints in the parameter descriptions
  2. Update the resource_dict documentation with all possible keys
  3. Fix the indentation of the parameter descriptions
         """
         Initialize the FileExecutor.
 
         Args:
-            cache_directory (str, optional): The directory to store cache files. Defaults to "cache".
-            resource_dict (dict): A dictionary of resources required by the task. With the following keys:
-                              - cores (int): number of MPI cores to be used for each function call
-                              - cwd (str/None): current working directory where the parallel python task is executed
-            execute_function (callable, optional): The function to execute tasks. Defaults to execute_in_subprocess.
-            terminate_function (callable, optional): The function to terminate the tasks.
-            pysqa_config_directory (str, optional): path to the pysqa config directory (only for pysqa based backend).
-            backend (str, optional): name of the backend used to spawn tasks.
+            cache_directory (str, optional): The directory to store cache files. Defaults to "cache".
+            resource_dict (Optional[dict]): A dictionary of resources required by the task. With the following keys:
+                - cores (int): Number of MPI cores to be used for each function call
+                - cwd (Optional[str]): Current working directory where the parallel python task is executed
+                - openmpi_oversubscribe (Optional[bool]): Whether to allow oversubscription in OpenMPI
+                - slurm_cmd_args (Optional[List[str]]): Additional command line arguments for SLURM
+                - threads_per_core (Optional[int]): Number of threads per core
+                - gpus_per_core (Optional[int]): Number of GPUs per core
+            execute_function (callable, optional): The function to execute tasks. Defaults to execute_in_subprocess.
+            terminate_function (Optional[callable]): The function to terminate the tasks.
+            pysqa_config_directory (Optional[str]): Path to the pysqa config directory (only for pysqa based backend).
+            backend (Optional[str]): Name of the backend used to spawn tasks.
         """
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Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 4624c0f and e6764f2.

📒 Files selected for processing (3)
  • executorlib/init.py (5 hunks)
  • executorlib/cache/executor.py (4 hunks)
  • tests/test_cache_executor_serial.py (6 hunks)
🚧 Files skipped from review as they are similar to previous changes (2)
  • executorlib/init.py
  • tests/test_cache_executor_serial.py
🧰 Additional context used
🪛 Ruff
executorlib/cache/executor.py

31-31: Do not use mutable data structures for argument defaults

Replace with None; initialize within function

(B006)

Comment on lines 85 to 132
def create_file_executor(
max_workers: int = 1,
backend: str = "local",
max_cores: int = 1,
cache_directory: Optional[str] = None,
resource_dict: Optional[dict] = None,
flux_executor=None,
flux_executor_pmi_mode: Optional[str] = None,
flux_executor_nesting: bool = False,
pysqa_config_directory: Optional[str] = None,
hostname_localhost: Optional[bool] = None,
block_allocation: bool = False,
init_function: Optional[callable] = None,
):
if cache_directory is None:
cache_directory = "executorlib_cache"
if max_workers != 1:
raise ValueError(
"The number of workers cannot be controlled with the pysqa based backend."
)
if max_cores != 1:
raise ValueError(
"The number of cores cannot be controlled with the pysqa based backend."
)
if hostname_localhost is not None:
raise ValueError(
"The option to connect to hosts based on their hostname is not available with the pysqa based backend."
)
if block_allocation:
raise ValueError(
"The option block_allocation is not available with the pysqa based backend."
)
if init_function is not None:
raise ValueError(
"The option to specify an init_function is not available with the pysqa based backend."
)
if flux_executor_pmi_mode is not None:
raise ValueError(
"The option to specify the flux pmi mode is not available with the pysqa based backend."
)
check_executor(executor=flux_executor)
check_nested_flux_executor(nested_flux_executor=flux_executor_nesting)
return FileExecutor(
cache_directory=cache_directory,
resource_dict=resource_dict,
pysqa_config_directory=pysqa_config_directory,
backend=backend.split("pysqa_")[-1],
)
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⚠️ Potential issue

Improve backend handling and error messages.

  1. The backend string splitting is fragile and could fail with malformed input
  2. Error messages could be more informative by suggesting valid alternatives
  3. The flux_executor parameter lacks type hints
 def create_file_executor(
     max_workers: int = 1,
     backend: str = "local",
     max_cores: int = 1,
     cache_directory: Optional[str] = None,
     resource_dict: Optional[dict] = None,
-    flux_executor=None,
+    flux_executor: Optional[Any] = None,
     flux_executor_pmi_mode: Optional[str] = None,
     flux_executor_nesting: bool = False,
     pysqa_config_directory: Optional[str] = None,
     hostname_localhost: Optional[bool] = None,
     block_allocation: bool = False,
     init_function: Optional[callable] = None,
 ):
+    """
+    Create a FileExecutor instance with pysqa backend.
+    
+    Args:
+        max_workers (int): Must be 1 for pysqa backend
+        backend (str): Must start with 'pysqa_'
+        max_cores (int): Must be 1 for pysqa backend
+        cache_directory (Optional[str]): Cache directory path
+        resource_dict (Optional[dict]): Resource configuration
+        flux_executor (Optional[Any]): Flux executor instance
+        flux_executor_pmi_mode (Optional[str]): Not supported with pysqa
+        flux_executor_nesting (bool): Whether to nest flux executors
+        pysqa_config_directory (Optional[str]): Pysqa config directory path
+        hostname_localhost (Optional[bool]): Not supported with pysqa
+        block_allocation (bool): Not supported with pysqa
+        init_function (Optional[callable]): Not supported with pysqa
+    
+    Returns:
+        FileExecutor: Configured executor instance
+    
+    Raises:
+        ValueError: If unsupported options are used with pysqa backend
+    """
+    if not backend.startswith("pysqa_"):
+        raise ValueError(
+            f"Invalid backend: {backend}. Must start with 'pysqa_'. "
+            "Available backends: pysqa_slurm, pysqa_lsf, etc."
+        )

     if cache_directory is None:
         cache_directory = "executorlib_cache"
     
+    unsupported_options = {
+        "max_workers": (max_workers != 1, "must be 1"),
+        "max_cores": (max_cores != 1, "must be 1"),
+        "hostname_localhost": (hostname_localhost is not None, "not supported"),
+        "block_allocation": (block_allocation, "not supported"),
+        "init_function": (init_function is not None, "not supported"),
+        "flux_executor_pmi_mode": (flux_executor_pmi_mode is not None, "not supported"),
+    }
+    
+    for option, (is_invalid, message) in unsupported_options.items():
+        if is_invalid:
+            raise ValueError(
+                f"The option '{option}' {message} with the pysqa based backend."
+            )

     check_executor(executor=flux_executor)
     check_nested_flux_executor(nested_flux_executor=flux_executor_nesting)
     
     return FileExecutor(
         cache_directory=cache_directory,
         resource_dict=resource_dict,
         pysqa_config_directory=pysqa_config_directory,
-        backend=backend.split("pysqa_")[-1],
+        backend=backend[6:] if backend.startswith("pysqa_") else backend,
     )

Don't forget to add the following import at the top of the file:

from typing import Any

Comment on lines +51 to +64
if "openmpi_oversubscribe" in resource_dict:
check_oversubscribe(oversubscribe=resource_dict["openmpi_oversubscribe"])
del resource_dict["openmpi_oversubscribe"]
if "slurm_cmd_args" in resource_dict:
check_command_line_argument_lst(
command_line_argument_lst=resource_dict["slurm_cmd_args"]
)
del resource_dict["slurm_cmd_args"]
if "threads_per_core" in resource_dict:
check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
del resource_dict["threads_per_core"]
if "gpus_per_core" in resource_dict:
check_gpus_per_worker(gpus_per_worker=resource_dict["gpus_per_core"])
del resource_dict["gpus_per_core"]
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🛠️ Refactor suggestion

Refactor resource validation for better maintainability.

The current validation logic has repetitive patterns. Consider using a dictionary to map keys to their validation functions.

-        if "openmpi_oversubscribe" in resource_dict:
-            check_oversubscribe(oversubscribe=resource_dict["openmpi_oversubscribe"])
-            del resource_dict["openmpi_oversubscribe"]
-        if "slurm_cmd_args" in resource_dict:
-            check_command_line_argument_lst(
-                command_line_argument_lst=resource_dict["slurm_cmd_args"]
-            )
-            del resource_dict["slurm_cmd_args"]
-        if "threads_per_core" in resource_dict:
-            check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
-            del resource_dict["threads_per_core"]
-        if "gpus_per_core" in resource_dict:
-            check_gpus_per_worker(gpus_per_worker=resource_dict["gpus_per_core"])
-            del resource_dict["gpus_per_core"]
+        if resource_dict is None:
+            resource_dict = {}
+        
+        validation_map = {
+            "openmpi_oversubscribe": (check_oversubscribe, "oversubscribe"),
+            "slurm_cmd_args": (check_command_line_argument_lst, "command_line_argument_lst"),
+            "threads_per_core": (check_threads_per_core, "threads_per_core"),
+            "gpus_per_core": (check_gpus_per_worker, "gpus_per_worker"),
+        }
+        
+        for key, (validator, param_name) in validation_map.items():
+            if key in resource_dict:
+                validator(**{param_name: resource_dict[key]})
+                del resource_dict[key]
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
if "openmpi_oversubscribe" in resource_dict:
check_oversubscribe(oversubscribe=resource_dict["openmpi_oversubscribe"])
del resource_dict["openmpi_oversubscribe"]
if "slurm_cmd_args" in resource_dict:
check_command_line_argument_lst(
command_line_argument_lst=resource_dict["slurm_cmd_args"]
)
del resource_dict["slurm_cmd_args"]
if "threads_per_core" in resource_dict:
check_threads_per_core(threads_per_core=resource_dict["threads_per_core"])
del resource_dict["threads_per_core"]
if "gpus_per_core" in resource_dict:
check_gpus_per_worker(gpus_per_worker=resource_dict["gpus_per_core"])
del resource_dict["gpus_per_core"]
if resource_dict is None:
resource_dict = {}
validation_map = {
"openmpi_oversubscribe": (check_oversubscribe, "oversubscribe"),
"slurm_cmd_args": (check_command_line_argument_lst, "command_line_argument_lst"),
"threads_per_core": (check_threads_per_core, "threads_per_core"),
"gpus_per_core": (check_gpus_per_worker, "gpus_per_worker"),
}
for key, (validator, param_name) in validation_map.items():
if key in resource_dict:
validator(**{param_name: resource_dict[key]})
del resource_dict[key]

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Actionable comments posted: 3

🧹 Outside diff range and nitpick comments (1)
executorlib/cache/executor.py (1)

85-98: Add docstring to document parameters and return type.

The function lacks a docstring to explain its purpose, parameters, return type, and possible exceptions.

Add a comprehensive docstring:

def create_file_executor(
    max_workers: int = 1,
    backend: str = "pysqa_flux",
    max_cores: int = 1,
    cache_directory: Optional[str] = None,
    resource_dict: Optional[dict] = None,
    flux_executor: Optional[Any] = None,
    flux_executor_pmi_mode: Optional[str] = None,
    flux_executor_nesting: bool = False,
    pysqa_config_directory: Optional[str] = None,
    hostname_localhost: Optional[bool] = None,
    block_allocation: bool = False,
    init_function: Optional[callable] = None,
) -> FileExecutor:
    """
    Create a FileExecutor instance configured for pysqa-based backends.

    Args:
        max_workers (int): Number of workers (must be 1 for pysqa backend)
        backend (str): Backend name (must start with 'pysqa_')
        max_cores (int): Number of cores (must be 1 for pysqa backend)
        cache_directory (Optional[str]): Directory for cache files
        resource_dict (Optional[dict]): Resource configuration dictionary
        flux_executor (Optional[Any]): Flux executor instance
        flux_executor_pmi_mode (Optional[str]): PMI mode for flux executor
        flux_executor_nesting (bool): Enable flux executor nesting
        pysqa_config_directory (Optional[str]): Path to pysqa config directory
        hostname_localhost (Optional[bool]): Hostname-based connection option
        block_allocation (bool): Block allocation option
        init_function (Optional[callable]): Initialization function

    Returns:
        FileExecutor: Configured executor instance

    Raises:
        ValueError: If unsupported options are used with pysqa backend
    """
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between e6764f2 and 6c3c54f.

📒 Files selected for processing (2)
  • executorlib/init.py (6 hunks)
  • executorlib/cache/executor.py (4 hunks)
🧰 Additional context used
🪛 Ruff
executorlib/cache/executor.py

31-31: Do not use mutable data structures for argument defaults

Replace with None; initialize within function

(B006)

🔇 Additional comments (4)
executorlib/__init__.py (4)

42-42: LGTM: Well-documented parameter addition

The new pysqa_config_directory parameter is clearly documented with its purpose and scope.


91-91: LGTM: Properly typed parameter addition

The pysqa_config_directory parameter is correctly typed as Optional[str].


112-112: LGTM: Consistent parameter implementation

The pysqa_config_directory parameter is consistently implemented in __new__ with proper typing and documentation.

Also applies to: 160-160


179-195: LGTM: Clean pysqa backend implementation

The pysqa backend handling is implemented correctly with proper parameter forwarding to create_file_executor. Note that there's an existing suggestion to consolidate error checks in the pysqa backend section.

cache_directory=cache_directory,
resource_dict=resource_dict,
pysqa_config_directory=pysqa_config_directory,
backend=backend.split("pysqa_")[-1],
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⚠️ Potential issue

Improve backend string handling.

The current backend string splitting is fragile and could fail with malformed input.

-        backend=backend.split("pysqa_")[-1],
+        backend=backend[6:] if backend.startswith("pysqa_") else backend,
📝 Committable suggestion

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Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
backend=backend.split("pysqa_")[-1],
backend=backend[6:] if backend.startswith("pysqa_") else backend,

@@ -20,10 +28,10 @@
def __init__(
self,
cache_directory: str = "cache",
resource_dict: Optional[dict] = None,
resource_dict: dict = {},
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⚠️ Potential issue

Fix mutable default argument.

Using a mutable default argument (empty dict) can lead to unexpected behavior when the same default instance is shared across function calls.

-        resource_dict: dict = {},
+        resource_dict: Optional[dict] = None
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
resource_dict: dict = {},
resource_dict: Optional[dict] = None,
🧰 Tools
🪛 Ruff

31-31: Do not use mutable data structures for argument defaults

Replace with None; initialize within function

(B006)

Comment on lines +196 to +200
elif not disable_dependencies:
if pysqa_config_directory is not None:
raise ValueError(
"The pysqa_config_directory is only required for the pysqa backend."
)
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🛠️ Refactor suggestion

Consolidate duplicate validation logic

The validation for pysqa_config_directory is duplicated in both non-pysqa branches. Consider consolidating this check to improve maintainability.

    def __new__(
        cls,
        max_workers: int = 1,
        backend: str = "local",
        ...
    ):
+       # Validate pysqa_config_directory early
+       if pysqa_config_directory is not None and not backend.startswith("pysqa_"):
+           raise ValueError(
+               "The pysqa_config_directory is only required for the pysqa backend."
+           )
+
        if "pysqa_" in backend and not plot_dependency_graph:
            from executorlib.cache.executor import create_file_executor
            return create_file_executor(...)
        elif not disable_dependencies:
-           if pysqa_config_directory is not None:
-               raise ValueError(
-                   "The pysqa_config_directory is only required for the pysqa backend."
-               )
            return ExecutorWithDependencies(...)
        else:
            _check_plot_dependency_graph(plot_dependency_graph=plot_dependency_graph)
            _check_refresh_rate(refresh_rate=refresh_rate)
-           if pysqa_config_directory is not None:
-               raise ValueError(
-                   "The pysqa_config_directory is only required for the pysqa backend."
-               )
            return create_executor(...)

Also applies to: 219-222

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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
executorlib/__init__.py (1)

Based on the gathered information, I can now provide the final response:

Additional test coverage needed for pysqa backend configuration

The current implementation lacks sufficient test coverage for pysqa configuration handling:

  • Only basic functionality test exists in test_cache_executor_pysqa_flux.py
  • No tests for pysqa_config_directory validation
  • Missing error cases for invalid configuration paths
  • No tests for interaction between pysqa and other backend settings

Required test cases:

  • Validation of None/empty/invalid config directory paths
  • Error handling when using pysqa config with non-pysqa backends
  • Configuration directory path validation
  • Integration with other backend settings
🔗 Analysis chain

Line range hint 179-222: Verify pysqa backend integration.

Please ensure that the pysqa backend integration is properly tested, particularly:

  1. The handling of None/empty/invalid config directory paths
  2. The interaction between pysqa configuration and other backend settings

Let me analyze the output and generate additional verification scripts to check the pysqa integration more thoroughly.


Let me check the content of the pysqa test file to understand the test coverage.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Verify pysqa integration testing coverage
# Test 1: Check for pysqa-related test files
echo "Looking for pysqa test files..."
fd -t f "test.*pysqa.*\.py$"

# Test 2: Check for pysqa configuration handling tests
echo "Looking for config directory handling tests..."
rg -A 5 "pysqa_config_directory.*None|pysqa_config_directory.*=.*['\"]" 

Length of output: 15620


Script:

#!/bin/bash
# Check for pysqa-specific test files and test coverage
echo "Looking for pysqa test files..."
fd "test.*pysqa.*\.py$"

# Check for pysqa-specific test cases and assertions
echo "Looking for pysqa test assertions..."
rg -A 5 "def test.*pysqa|assert.*pysqa" 

# Check for pysqa backend implementation
echo "Looking for pysqa backend implementation..."
rg -A 10 "pysqa_.*backend" tests/

Length of output: 396


Script:

#!/bin/bash
# Check content of pysqa test file
echo "Content of pysqa test file:"
cat tests/test_cache_executor_pysqa_flux.py

# Look for pysqa-related error handling
echo -e "\nError handling for pysqa:"
rg -A 3 "raise.*pysqa|ValueError.*pysqa"

Length of output: 1396

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 6c3c54f and 74c1b7f.

📒 Files selected for processing (1)
  • executorlib/init.py (6 hunks)
🔇 Additional comments (3)
executorlib/__init__.py (3)

42-42: LGTM: Clear and accurate parameter documentation.

The documentation for pysqa_config_directory is well-written, clearly indicating its optionality and specific use case.


91-91: LGTM: Consistent signature updates.

The pysqa_config_directory parameter is properly added to both methods with correct type hints.

Also applies to: 112-112


179-195: Verify the backend string handling.

The backend string manipulation could be made more robust. Consider validating the backend string format and handling edge cases.

#!/bin/bash
# Description: Check for potential edge cases in backend string handling
# Test: Search for all backend string usages to ensure consistent handling
rg -A 2 'backend.*=|backend.*split'

@jan-janssen jan-janssen deleted the executor_user_interface branch October 28, 2024 15:30
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