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Add forcefield constraints. Generic but right now just applied to MMF… #4

Add forcefield constraints. Generic but right now just applied to MMF…

Add forcefield constraints. Generic but right now just applied to MMF… #4

Triggered via push April 1, 2026 16:54
Status Success
Total duration 13m 21s
Artifacts 5

conda-build.yml

on: push
Matrix: conda-forge-build
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5 warnings
py3.13 rdkit2025.9.5 cuda13.0
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/upload-artifact@v4. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Node.js 20 will be removed from the runner on September 16th, 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/
py3.12 rdkit2025.3.6 cuda12.9
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/upload-artifact@v4. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Node.js 20 will be removed from the runner on September 16th, 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/
py3.10 rdkit2024.9.6 cuda12.9
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/upload-artifact@v4. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Node.js 20 will be removed from the runner on September 16th, 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/
py3.13 rdkit2025.9.2 cuda12.9
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/upload-artifact@v4. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Node.js 20 will be removed from the runner on September 16th, 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/
py3.11 rdkit2025.3.2 cuda12.9
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/upload-artifact@v4. Actions will be forced to run with Node.js 24 by default starting June 2nd, 2026. Node.js 20 will be removed from the runner on September 16th, 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
nvmolkit-conda-py3.10-rdkit2024.9.6-cuda12.9
10.9 MB
sha256:629be5446c8babdb2bc7ac4e0684bdfdd9e70516f5928162b8e4ef4606225308
nvmolkit-conda-py3.11-rdkit2025.3.2-cuda12.9
10.9 MB
sha256:36cd8682ff9883c6919d631a992e2c9b1b7a00a371c0aa2ca3564171c7f1e1b8
nvmolkit-conda-py3.12-rdkit2025.3.6-cuda12.9
10.9 MB
sha256:c4ee7b07baa001e53fed694e142a25a1dc00b4d10d596857831bff14af6d7d08
nvmolkit-conda-py3.13-rdkit2025.9.2-cuda12.9
10.9 MB
sha256:621f4607b4d7f85c6c0b8a4a03797afbdecd41a046809aa184470e62f9b1d49a
nvmolkit-conda-py3.13-rdkit2025.9.5-cuda13.0
9.1 MB
sha256:dd17d90a927c9f9c78ba790e08f64e7cdeb53a95aa2fbf008bf0a2bd5ec4af11