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@jan-janssen jan-janssen commented Oct 1, 2024

Users who want conda support have to first decorate the function and then submit it with executorlib.

Summary by CodeRabbit

  • New Features

    • Enhanced documentation for the executorlib.Executor class, detailing resource allocation parameters and their usage.
    • Added support for specifying resource requirements in task submissions.
  • Bug Fixes

    • Simplified exception handling in test_flux_executor.py for the FluxPythonSpawner interface.
  • Chores

    • Removed unnecessary dependencies related to conda environments from various configuration files and code.
    • Updated dependency versions in pyproject.toml for better stability and performance.

Users who want conda support have to first decorate the function and then submit it with executorlib.
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coderabbitai bot commented Oct 1, 2024

Walkthrough

The changes involve updates to various configuration files and code components across the project. Key modifications include the removal of the conda_subprocess dependency, the specification of the cloudpickle version as 3.0.0, and adjustments to several workflow files to streamline environment setup and testing processes. Additionally, parameters related to conda environments have been removed from multiple classes and functions, simplifying their signatures and logic.

Changes

File Change Summary
.ci_support/environment-mpich.yml Removed conda_subprocess, specified cloudpickle version as 3.0.0, corrected indentation.
.ci_support/environment-old.yml Removed conda_subprocess, adjusted indentation, no changes to other dependencies.
.ci_support/environment-openmpi.yml Removed conda_subprocess, corrected indentation for numpy.
.ci_support/environment-win.yml Specified cloudpickle version as 3.0.0, removed conda_subprocess.
.github/workflows/unittest-flux-mpich.yml Removed conda environment creation, added testing steps for Flux.
.github/workflows/unittest-flux-openmpi.yml Updated job configuration, removed conda environment creation, added coverage report upload.
.github/workflows/unittest-mpich.yml Updated job matrix for Python versions, corrected indentation.
.github/workflows/unittest-openmpi.yml Updated job matrix for Python versions, commented out conda environment creation.
.github/workflows/unittest-win.yml Adjusted setup for unit tests, removed conda environment creation.
.github/workflows/unittests-old.yml Updated Python version in Conda environment, removed conda environment creation.
.readthedocs.yml Updated comment on package installation from conda.
executorlib/__init__.py Removed conda_environment_name and conda_environment_path from Executor class.
executorlib/interactive/__init__.py Removed conda environment parameters from create_executor function.
executorlib/interactive/flux.py Removed conda parameters from bootup method in FluxPythonSpawner.
executorlib/shared/communication.py Removed conda parameters from bootup method and interface_bootup function.
executorlib/shared/executor.py Added resource_dict parameter to submit methods, removed conda parameters from task functions.
executorlib/shared/spawner.py Removed conda parameters from bootup method in BaseSpawner and SubprocessSpawner.
executorlib/shell/executor.py Removed conda parameters from execute_single_task function and SubprocessExecutor class.
notebooks/examples.ipynb Enhanced documentation for executorlib.Executor class, added examples for resource management.
pyproject.toml Specified exact versions for cloudpickle and pyzmq, added optional dependency group for conda.
tests/test_executor_conda.py Deleted file containing tests for executors in a Conda environment.
tests/test_flux_executor.py Simplified test_interface_exception method by removing multiple assertions for ValueError.

Possibly related PRs

  • Remove h5io from dependencies #417: The main PR and this retrieved PR both involve the removal of the conda_subprocess dependency and the specification of the cloudpickle version as 3.0.0, indicating a direct connection in their modifications to environment configuration files.

🐇 In the meadow, changes bloom,
Dependencies shed their gloom.
cloudpickle now stands tall,
No more conda, we heed the call.
With workflows light and clean,
Our code dances, swift and keen! 🌼


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# Conflicts:
#	.ci_support/environment-mpich.yml
#	.ci_support/environment-openmpi.yml
#	.ci_support/environment-win.yml
#	pyproject.toml
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Actionable comments posted: 2

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

13-17: Update function docstring

The function's docstring should be updated to reflect the removal of conda-related parameters. Currently, it only mentions the future_queue parameter, which is correct, but it would be helpful to add a note about the removal of conda support if this was previously documented.

Consider adding a note like:

"""
Process items received via the queue.

Args:
    future_queue (queue.Queue): The queue containing the tasks to be executed.

Note:
    Conda support has been removed. Users requiring conda support should decorate
    their functions before submitting them through executorlib.
"""

Line range hint 41-60: Update class docstring

The class docstring should be updated to reflect the removal of conda-related functionality. Currently, it doesn't mention any conda-specific features, which is good, but it would be helpful to add a note about the removal of conda support if this was previously a key feature of the class.

Consider adding a note like:

"""
...

Note:
    As of recent changes, conda support has been removed from this executor.
    Users requiring conda support should decorate their functions before
    submitting them through executorlib.

...
"""

Conda references still exist in the codebase.

  • Files containing 'conda' references:
    • docs/trouble_shooting.md
    • docs/installation.md
    • notebooks/examples.ipynb
    • binder/kernel.json
    • binder/environment.yml
    • executorlib/interactive/flux.py
    • README.md

Please remove or update these references to ensure complete removal of conda support.

🔗 Analysis chain

Line range hint 1-98: Summary: Conda support successfully removed

The changes in this file consistently remove conda support from both the execute_single_task function and the SubprocessExecutor class. This aligns well with the PR objective of removing conda support from executorlib. The code has been simplified and streamlined as a result.

To ensure these changes don't have unintended consequences:

Run the following script to check for any remaining conda references in the codebase:

This will help identify any places where conda might still be referenced and need attention.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for any remaining conda references in the codebase

# Test: Search for 'conda' in Python files
echo "Searching for 'conda' references in Python files:"
rg --type python 'conda'

# Test: Search for 'conda' in other file types
echo "Searching for 'conda' references in other files:"
rg --type-not python 'conda'

Length of output: 343


Script:

#!/bin/bash
# Description: Check for any remaining 'conda' references in the codebase without relying on file types.

# Search for 'conda' in all files
echo "Searching for 'conda' references in all files:"
rg 'conda'

# Alternatively, find Python files and search within them
echo "Locating Python files and searching for 'conda' references within them:"
fd --type f --extension py | xargs rg 'conda'

Length of output: 2986

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 2081211 and 6d20869.

📒 Files selected for processing (22)
  • .ci_support/environment-mpich.yml (0 hunks)
  • .ci_support/environment-old.yml (0 hunks)
  • .ci_support/environment-openmpi.yml (0 hunks)
  • .ci_support/environment-win.yml (0 hunks)
  • .github/workflows/unittest-flux-mpich.yml (0 hunks)
  • .github/workflows/unittest-flux-openmpi.yml (0 hunks)
  • .github/workflows/unittest-mpich.yml (0 hunks)
  • .github/workflows/unittest-openmpi.yml (0 hunks)
  • .github/workflows/unittest-win.yml (0 hunks)
  • .github/workflows/unittests-old.yml (0 hunks)
  • .readthedocs.yml (1 hunks)
  • executorlib/init.py (0 hunks)
  • executorlib/interactive/init.py (0 hunks)
  • executorlib/interactive/flux.py (0 hunks)
  • executorlib/shared/communication.py (0 hunks)
  • executorlib/shared/executor.py (0 hunks)
  • executorlib/shared/spawner.py (1 hunks)
  • executorlib/shell/executor.py (2 hunks)
  • notebooks/examples.ipynb (0 hunks)
  • pyproject.toml (0 hunks)
  • tests/test_executor_conda.py (0 hunks)
  • tests/test_flux_executor.py (0 hunks)
💤 Files with no reviewable changes (19)
  • .ci_support/environment-mpich.yml
  • .ci_support/environment-old.yml
  • .ci_support/environment-openmpi.yml
  • .ci_support/environment-win.yml
  • .github/workflows/unittest-flux-mpich.yml
  • .github/workflows/unittest-flux-openmpi.yml
  • .github/workflows/unittest-mpich.yml
  • .github/workflows/unittest-openmpi.yml
  • .github/workflows/unittest-win.yml
  • .github/workflows/unittests-old.yml
  • executorlib/init.py
  • executorlib/interactive/init.py
  • executorlib/interactive/flux.py
  • executorlib/shared/communication.py
  • executorlib/shared/executor.py
  • notebooks/examples.ipynb
  • pyproject.toml
  • tests/test_executor_conda.py
  • tests/test_flux_executor.py
🔇 Additional comments (9)
.readthedocs.yml (1)

28-28: LGTM: Updated comment reflects the correct package.

The comment has been appropriately updated to reference "executorlib" instead of "pyiron", which aligns with the project's current focus.

executorlib/shell/executor.py (4)

10-12: LGTM: Function signature simplified

The removal of conda-related parameters (conda_environment_name and conda_environment_path) from the execute_single_task function signature aligns with the PR objective of removing conda support. This simplification makes the function more focused on its core task.


29-33: LGTM: Execution logic simplified

The execution logic has been streamlined by directly using subprocess.check_output instead of conditionally using conda_subprocess.check_output. This change simplifies the code and removes the conda-specific execution path, which is in line with the PR objectives.


Line range hint 65-68: LGTM: Class constructor simplified

The removal of conda-related parameters (conda_environment_name and conda_environment_path) from the SubprocessExecutor class constructor aligns with the PR objective of removing conda support. This simplification makes the class initialization more straightforward.


Line range hint 84-98: LGTM: submit method consistency

The submit method implementation remains unchanged and is consistent with the modifications made to execute_single_task. It correctly passes the arguments to the task queue without any conda-specific logic, which aligns with the overall changes in this PR.

executorlib/shared/spawner.py (4)

Line range hint 24-32: LGTM! BaseSpawner changes are consistent.

The simplification of the bootup method signature in BaseSpawner is consistent with the changes made in SubprocessSpawner. This maintains the abstract nature of the method while aligning with the PR objective of removing conda support.


Line range hint 1-270: Summary of changes and potential impact

The modifications in this file successfully remove conda support from the spawner classes, aligning with the PR objectives. The changes are consistent across the file, maintaining the code structure and inheritance hierarchy.

Key points:

  1. The bootup method signatures in BaseSpawner and SubprocessSpawner have been simplified.
  2. Conda-related logic has been removed from the SubprocessSpawner.bootup method.
  3. MpiExecSpawner and SrunSpawner inherit the modified bootup method from SubprocessSpawner.

While the changes look good, it's crucial to ensure that:

  1. Existing functionality for users who rely on conda support is not broken.
  2. MPI and SLURM-specific functionalities remain intact.
  3. All calls to the bootup method across the codebase have been updated to reflect the new signature.

To ensure a smooth transition, please run the verification scripts provided in the previous comments and address any issues that may arise.


Line range hint 132-149: Verify MPI functionality remains intact.

While there are no direct changes to the MpiExecSpawner class, it inherits the modified bootup method from SubprocessSpawner. Please ensure that this doesn't break any MPI-specific functionality.

Let's verify the MPI functionality:

#!/bin/bash
# Description: Check for any MPI-specific tests or usage in the codebase.

echo "Checking for MPI-related tests:"
rg -i "test.*mpi" --type python

echo "\nChecking for MpiExecSpawner usage:"
rg "MpiExecSpawner" --type python

Line range hint 152-201: Verify SLURM functionality remains intact.

While there are no direct changes to the SrunSpawner class, it inherits the modified bootup method from SubprocessSpawner. Please ensure that this doesn't break any SLURM-specific functionality.

Let's verify the SLURM functionality:

#!/bin/bash
# Description: Check for any SLURM-specific tests or usage in the codebase.

echo "Checking for SLURM-related tests:"
rg -i "test.*slurm" --type python

echo "\nChecking for SrunSpawner usage:"
rg "SrunSpawner" --type python

Comment on lines 29 to 30
conda:
environment: .ci_support/environment-docs.yml
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💡 Codebase verification

Conda Configurations Still Present

Conda configurations are still found in the following files and should be removed to align with the PR's objective of eliminating conda support:

  • binder/environment.yml
  • .readthedocs.yml
🔗 Analysis chain

Verify: Is conda configuration still needed?

The PR objectives mention removing conda support, but this file still includes conda configuration. Please confirm if this is intentional or if the conda-related lines should be removed as part of this PR.

To help verify this, you can run the following command to check for other conda-related configurations in the project:

This will help determine if conda configurations have been removed from other files, which might indicate that this file was overlooked.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Search for conda-related configurations in other files
rg --type yaml --type toml 'conda' -g '!.readthedocs.yml'

Length of output: 94

Comment on lines +86 to +90
self._process = subprocess.Popen(
args=self.generate_command(command_lst=command_lst),
cwd=self._cwd,
stdin=subprocess.DEVNULL,
)
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💡 Codebase verification

Found remaining conda references.

There is still a reference to conda in executorlib/interactive/flux.py. Please remove this reference to fully eliminate conda support.

🔗 Analysis chain

LGTM! Consider adding a comment about conda support removal.

The simplification of the bootup method aligns with the PR objective of removing conda support. This change improves code readability and maintainability.

Consider adding a comment explaining that conda support has been removed and users should decorate their functions if they need conda support:

def bootup(
    self,
    command_lst: list[str],
):
    """
    Method to start the subprocess interface.

    Note: Conda support has been removed. Users requiring conda support
    should decorate their functions before submitting them through executorlib.

    Args:
        command_lst (list[str]): The command list to execute.
    """
    self._process = subprocess.Popen(
        args=self.generate_command(command_lst=command_lst),
        cwd=self._cwd,
        stdin=subprocess.DEVNULL,
    )

Let's verify the impact of these changes on the rest of the codebase:

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for any remaining references to conda in the codebase
# and verify that all calls to bootup method have been updated.

echo "Checking for remaining conda references:"
rg -i conda --type python

echo "\nVerifying bootup method calls:"
rg -A 3 "\.bootup\(" --type python

Length of output: 380


Script:

#!/bin/bash
# Description: Check for any remaining references to conda in the codebase
# and verify that all calls to bootup method have been updated.

echo "Checking for remaining conda references:"
rg -i conda --type py

echo "\nVerifying bootup method calls:"
rg -A 3 "\.bootup\(" --type py

Length of output: 1431

@jan-janssen
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This functionality is now demonstrated in the conda_subprocess repository pyiron/conda_subprocess#38

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