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Get thermochemistry even for non-reactive species during model initialization #6260

Get thermochemistry even for non-reactive species during model initialization

Get thermochemistry even for non-reactive species during model initialization #6260

Triggered via pull request March 24, 2026 13:57
@alongdalongd
opened #2899
n2
Status Success
Total duration 6h 35m 3s
Artifacts 4

CI.yml

on: pull_request
Matrix: build-and-test
Regression Test
1h 5m
Regression Test
build-and-push-docker
39m 43s
build-and-push-docker
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Python 3.11 ubuntu-latest Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.11 ubuntu-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 ubuntu-latest Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.10 ubuntu-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 ubuntu-latest Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.9 ubuntu-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 ubuntu-latest Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.10 ubuntu-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 ubuntu-latest Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.11 ubuntu-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Regression Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, actions/download-artifact@v4, actions/upload-artifact@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Regression Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 ubuntu-latest Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.9 ubuntu-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 macos-15-intel Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.11 macos-15-intel Build and Test
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.11 macos-15-intel Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 macos-15-intel Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.11 macos-15-intel Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.11 macos-15-intel Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 macos-latest Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.11 macos-latest Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.11 macos-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 macos-latest Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.10 macos-latest Build and Test
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.10 macos-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 macos-latest Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.9 macos-latest Build and Test
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.9 macos-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 macos-latest Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.10 macos-latest Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.10 macos-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 macos-15-intel Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.10 macos-15-intel Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.10 macos-15-intel Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 macos-latest Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.9 macos-latest Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.9 macos-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 macos-15-intel Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.10 macos-15-intel Build and Test
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.10 macos-15-intel Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 macos-15-intel Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.9 macos-15-intel Build and Test
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.9 macos-15-intel Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 macos-latest Build and Test
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.11 macos-latest Build and Test
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.11 macos-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 macos-15-intel Build and Test with RMS
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, conda-incubator/setup-miniconda@v3, julia-actions/install-juliaup@v2. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Python 3.9 macos-15-intel Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.9 macos-15-intel Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
build-and-push-docker
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: docker/build-push-action@v6, docker/setup-buildx-action@v3, docker/setup-qemu-action@v3. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Please check if updated versions of these actions are available that support Node.js 24. To opt into Node.js 24 now, set the FORCE_JAVASCRIPT_ACTIONS_TO_NODE24=true environment variable on the runner or in your workflow file. Once Node.js 24 becomes the default, you can temporarily opt out by setting ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION=true. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/

Artifacts

Produced during runtime
Name Size Digest
ReactionMechanismGenerator~RMG-Py~O3ZNWW.dockerbuild
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regression_summary
6.97 KB
sha256:24b4abbea58196f17e85334e8c956144d3d6cac26945a80b55acd358083f017d
regression_test_comparison_results
7 KB
sha256:08c4a1fefd684579ba2a439e8a73e5f66886b63e2fee96971c8047c96530600b