Skip to content
CI

feat(space): surface-aware sampling region (per-ligand auto-sizing + SAS) #12

Sign in to view logs

feat(space): surface-aware sampling region (per-ligand auto-sizing + SAS)

feat(space): surface-aware sampling region (per-ligand auto-sizing + SAS) #12

Triggered via pull request May 7, 2026 11:15
@siddharth7113siddharth7113
opened #39
siddharth/surface-aware-sampler
Status Failure
Total duration 2m 52s
Artifacts –

ci.yml

on: pull_request
GPU Test
GPU Test
Lint
8s
Lint
Matrix: test
Matrix: unit-tests
Fit to window
Zoom out
Zoom in

Annotations

4 errors and 21 warnings
Unit Tests Python 3.13
Process completed with exit code 2.
Unit Tests Python 3.10
Process completed with exit code 2.
Unit Tests Python 3.12
Process completed with exit code 2.
Unit Tests Python 3.11
Process completed with exit code 2.
Lint
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/setup-python@v5. 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/
Unit Tests Python 3.13
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/setup-python@v5. 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/
Unit Tests Python 3.10
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/setup-python@v5. 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/
Unit Tests Python 3.12
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/setup-python@v5. 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/
Unit Tests Python 3.11
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/setup-python@v5. 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/
Test Python 3.12
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. 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/
Test 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`.
Test Python 3.12
warning libmamba 'repo.anaconda.com', a commercial channel hosted by Anaconda.com, is used. warning libmamba Please make sure you understand Anaconda Terms of Services. warning libmamba See: https://legal.anaconda.com/policies/en/
Test 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`.
Test Python 3.11
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. 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/
Test 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`.
Test Python 3.11
warning libmamba 'repo.anaconda.com', a commercial channel hosted by Anaconda.com, is used. warning libmamba Please make sure you understand Anaconda Terms of Services. warning libmamba See: https://legal.anaconda.com/policies/en/
Test 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`.
Test Python 3.13
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. 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/
Test Python 3.13
`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`.
Test Python 3.13
warning libmamba 'repo.anaconda.com', a commercial channel hosted by Anaconda.com, is used. warning libmamba Please make sure you understand Anaconda Terms of Services. warning libmamba See: https://legal.anaconda.com/policies/en/
Test Python 3.13
`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`.
Test Python 3.10
Node.js 20 actions are deprecated. The following actions are running on Node.js 20 and may not work as expected: actions/checkout@v4, codecov/codecov-action@v4, conda-incubator/setup-miniconda@v3. 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/
Test 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`.
Test Python 3.10
warning libmamba 'repo.anaconda.com', a commercial channel hosted by Anaconda.com, is used. warning libmamba Please make sure you understand Anaconda Terms of Services. warning libmamba See: https://legal.anaconda.com/policies/en/
Test 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`.