Add utils directory with script for fixing molden files with incorrec… #24
JMoradoAnnotations
13 warnings
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Lint (ruff)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@v4, actions/setup-python@v5. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
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Tests (Python 3.12)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@v4, conda-incubator/setup-miniconda@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
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Tests (Python 3.12)
`auto-activate-base` is deprecated. Please use `auto-activate`. If your installer does not use the `base` environment as the default environment, also add `activate-environment: base`.
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Tests (Python 3.12)
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Tests (Python 3.12)
`auto-activate-base` is deprecated. Please use `auto-activate`. If your installer does not use the `base` environment as the default environment, also add `activate-environment: base`.
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Tests (Python 3.11)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@v4, codecov/codecov-action@v4, conda-incubator/setup-miniconda@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
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Tests (Python 3.11)
`auto-activate-base` is deprecated. Please use `auto-activate`. If your installer does not use the `base` environment as the default environment, also add `activate-environment: base`.
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Tests (Python 3.11)
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Tests (Python 3.11)
`auto-activate-base` is deprecated. Please use `auto-activate`. If your installer does not use the `base` environment as the default environment, also add `activate-environment: base`.
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Tests (Python 3.10)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@v4, conda-incubator/setup-miniconda@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
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Tests (Python 3.10)
`auto-activate-base` is deprecated. Please use `auto-activate`. If your installer does not use the `base` environment as the default environment, also add `activate-environment: base`.
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Tests (Python 3.10)
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Tests (Python 3.10)
`auto-activate-base` is deprecated. Please use `auto-activate`. If your installer does not use the `base` environment as the default environment, also add `activate-environment: base`.
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