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Remove conda default channel #332

Merged
merged 2 commits into from
Aug 27, 2024
Merged

Remove conda default channel #332

merged 2 commits into from
Aug 27, 2024

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jan-janssen
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@jan-janssen jan-janssen commented Aug 27, 2024

Summary by CodeRabbit

  • New Features

    • Updated Conda environment setup across multiple workflows to use a new configuration file for specifying channels, enhancing maintainability.
    • Introduced a standardized approach for specifying the Mambaforge version as "latest."
  • Bug Fixes

    • Fixed issues related to outdated parameters in the workflow configurations, ensuring the latest Conda practices are followed.
  • Documentation

    • Improved clarity in CI workflow configurations by centralizing channel specifications in a .condarc file.

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coderabbitai bot commented Aug 27, 2024

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Commits

Files that changed from the base of the PR and between 669d0fd and a26c415.

Walkthrough

The updates across multiple GitHub Actions workflow files involve a significant restructuring of Conda environment setup. The changes include replacing the miniforge-variant with miniforge-version, now set to latest, and removing parameters like channels, channel-priority, activate-environment, and use-mamba. Instead, a new .condarc file is created to manage channel configurations. The Python version is also updated to 3.12 in several workflows.

Changes

Files Change Summary
.github/workflows/coverage.yml Updated to use miniforge-version: latest, removed channels, channel-priority, activate-environment, and use-mamba. Introduced .condarc.
.github/workflows/deploy.yml Updated Python version to 3.12, replaced miniforge-variant with miniforge-version: latest, removed several parameters, and introduced .condarc.
.github/workflows/minimal.yml Similar updates as above, including creation of .condarc and removal of several parameters.
.github/workflows/notebooks.yml Replaced previous channel specifications with a .condarc file; updated to use miniforge-version: latest.
.github/workflows/pypicheck.yml Updated Python version to 3.12, replaced miniforge-variant, removed several parameters, added .condarc.
.github/workflows/unittests.yml Streamlined setup with new parameters, removed old ones, and created .condarc.
.github/workflows/unittests_abinit.yml Similar changes as above, including .condarc creation and parameter updates.
.github/workflows/unittests_gpaw.yml Updated to use new parameters and added .condarc.
.github/workflows/unittests_mace.yml Similar updates as above, with creation of .condarc file.
.github/workflows/unittests_matgl.yml Similar updates, including the introduction of .condarc.
.github/workflows/unittests_old.yml Updated to new parameter structure and creation of .condarc.
.github/workflows/unittests_qe.yml Streamlined workflow with new parameters and creation of .condarc.
.github/workflows/unittests_siesta.yml Similar updates, including the introduction of .condarc.

Poem

🐇 In a world of code, so bright and fair,
Changes hop in, light as air!
With channels now in a .condarc,
Our workflows shine, they leave a mark.
Python's new version, fresh and neat,
Hopping along, our tasks complete! 🌟


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Actionable comments posted: 0

Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between e6e5811 and 669d0fd.

Files selected for processing (13)
  • .github/workflows/coverage.yml (1 hunks)
  • .github/workflows/deploy.yml (1 hunks)
  • .github/workflows/minimal.yml (1 hunks)
  • .github/workflows/notebooks.yml (1 hunks)
  • .github/workflows/pypicheck.yml (1 hunks)
  • .github/workflows/unittests.yml (1 hunks)
  • .github/workflows/unittests_abinit.yml (1 hunks)
  • .github/workflows/unittests_gpaw.yml (1 hunks)
  • .github/workflows/unittests_mace.yml (1 hunks)
  • .github/workflows/unittests_matgl.yml (1 hunks)
  • .github/workflows/unittests_old.yml (1 hunks)
  • .github/workflows/unittests_qe.yml (1 hunks)
  • .github/workflows/unittests_siesta.yml (1 hunks)
Additional comments not posted (42)
.github/workflows/minimal.yml (3)

13-14: LGTM!

The step correctly creates a .condarc file with the conda-forge channel.

The code changes are approved.


19-20: LGTM!

The step correctly sets up Mambaforge with the latest version and uses the .condarc file.

The code changes are approved.


Line range hint 25-31: LGTM!

The step correctly installs dependencies and runs tests.

The code changes are approved.

.github/workflows/unittests_old.yml (3)

13-14: LGTM!

The step correctly creates a .condarc file with the conda-forge channel.

The code changes are approved.


19-20: LGTM!

The step correctly sets up Mambaforge with the latest version and uses the .condarc file.

The code changes are approved.


Line range hint 25-31: LGTM!

The step correctly installs dependencies and runs tests.

The code changes are approved.

.github/workflows/pypicheck.yml (3)

15-16: LGTM!

The step correctly creates a .condarc file with the conda-forge channel.

The code changes are approved.


20-22: LGTM!

The step correctly sets up Mambaforge with the latest version and uses the .condarc file.

The code changes are approved.


Line range hint 27-31: LGTM!

The step correctly installs dependencies and runs pip checks.

The code changes are approved.

.github/workflows/unittests_siesta.yml (3)

17-17: LGTM!

Creating a .condarc file to specify the conda-forge channel centralizes the channel configuration and improves maintainability.

The code changes are approved.


22-22: LGTM!

Using miniforge-version: latest ensures that the latest version of Miniforge is used, providing up-to-date features and bug fixes.

The code changes are approved.


23-23: LGTM!

Referencing the .condarc file in the setup-miniconda action ensures consistent application of the channel configuration.

The code changes are approved.

.github/workflows/notebooks.yml (3)

19-19: LGTM!

Creating a .condarc file to specify the conda-forge channel centralizes the channel configuration and improves maintainability.

The code changes are approved.


24-24: LGTM!

Using miniforge-version: latest ensures that the latest version of Miniforge is used, providing up-to-date features and bug fixes.

The code changes are approved.


25-25: LGTM!

Referencing the .condarc file in the setup-miniconda action ensures consistent application of the channel configuration.

The code changes are approved.

.github/workflows/unittests_gpaw.yml (3)

17-17: LGTM!

Creating a .condarc file to specify the conda-forge channel centralizes the channel configuration and improves maintainability.

The code changes are approved.


22-22: LGTM!

Using miniforge-version: latest ensures that the latest version of Miniforge is used, providing up-to-date features and bug fixes.

The code changes are approved.


23-23: LGTM!

Referencing the .condarc file in the setup-miniconda action ensures consistent application of the channel configuration.

The code changes are approved.

.github/workflows/unittests_mace.yml (3)

17-17: LGTM!

Creating a .condarc file to specify the conda-forge channel centralizes channel configuration and simplifies the setup process.

The code changes are approved.


22-22: LGTM!

Updating the miniforge-version parameter to latest ensures that the most recent features and fixes are included.

The code changes are approved.


23-23: LGTM!

Adding the condarc-file parameter to specify the path to the .condarc file ensures that the defined channels are utilized during the environment setup.

The code changes are approved.

.github/workflows/unittests_abinit.yml (3)

17-17: LGTM!

Creating a .condarc file to specify the conda-forge channel centralizes channel configuration and simplifies the setup process.

The code changes are approved.


22-22: LGTM!

Updating the miniforge-version parameter to latest ensures that the most recent features and fixes are included.

The code changes are approved.


23-23: LGTM!

Adding the condarc-file parameter to specify the path to the .condarc file ensures that the defined channels are utilized during the environment setup.

The code changes are approved.

.github/workflows/unittests_matgl.yml (3)

17-17: LGTM!

Creating a .condarc file to specify the conda-forge channel centralizes channel configuration and simplifies the setup process.

The code changes are approved.


22-22: LGTM!

Updating the miniforge-version parameter to latest ensures that the most recent features and fixes are included.

The code changes are approved.


23-23: LGTM!

Adding the condarc-file parameter to specify the path to the .condarc file ensures that the defined channels are utilized during the environment setup.

The code changes are approved.

.github/workflows/unittests_qe.yml (3)

17-17: LGTM!

Creating the .condarc file to centralize channel configuration is a good practice for maintainability.

The code changes are approved.


22-22: LGTM!

Setting miniforge-version to latest ensures that the latest updates and improvements are used.

The code changes are approved.


23-23: LGTM!

Using the condarc-file parameter to specify the .condarc file improves the management of Conda configurations.

The code changes are approved.

.github/workflows/deploy.yml (6)

22-23: LGTM!

Adding a step to create the .condarc file centralizes channel configuration, which is a good practice for maintainability.

The code changes are approved.


26-26: LGTM!

Updating to Python 3.12 ensures compatibility with the latest features and improvements.

The code changes are approved.


27-27: LGTM!

Setting miniforge-version to latest ensures that the latest updates and improvements are used.

The code changes are approved.


28-28: LGTM!

Using the condarc-file parameter to specify the .condarc file improves the management of Conda configurations.

The code changes are approved.


23-23: LGTM!

The removal of the mamba-version parameter simplifies the configuration.

The code changes are approved.


23-23: LGTM!

The removal of the channels, miniforge-variant, channel-priority, and auto-update-conda parameters simplifies the configuration and centralizes the channel management in the .condarc file.

The code changes are approved.

.github/workflows/coverage.yml (3)

20-20: LGTM!

Creating the .condarc file to centralize channel configuration is a good practice for maintainability.

The code changes are approved.


25-25: LGTM!

Setting miniforge-version to latest ensures that the latest updates and improvements are used.

The code changes are approved.


26-26: LGTM!

Using the condarc-file parameter to specify the .condarc file improves the management of Conda configurations.

The code changes are approved.

.github/workflows/unittests.yml (3)

40-40: LGTM!

The creation of the .condarc file with the conda-forge channel is correctly implemented and improves maintainability.

The code changes are approved.


45-45: LGTM!

Replacing miniforge-variant with miniforge-version: latest simplifies the version specification and ensures the latest version is always used.

The code changes are approved.


46-46: LGTM!

Replacing the channels parameter with condarc-file: .condarc aligns with the new approach of managing channels via a .condarc file, enhancing clarity and maintainability.

The code changes are approved.

@jan-janssen jan-janssen merged commit 42b714b into main Aug 27, 2024
22 checks passed
@jan-janssen jan-janssen deleted the nodev branch August 27, 2024 08:46
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