Skip to content

Allow writing multi-model structure files with different atoms in each model #1308

Allow writing multi-model structure files with different atoms in each model

Allow writing multi-model structure files with different atoms in each model #1308

Triggered via pull request July 1, 2026 11:16
Status Failure
Total duration 18m 46s
Artifacts 16

test_and_deploy.yml

on: pull_request
Build CCD and wheel for reusing it in several CI jobs
5m 21s
Build CCD and wheel for reusing it in several CI jobs
Check code style
2m 43s
Check code style
Generate wheels matrix
14s
Generate wheels matrix
Build source distribution
1m 11s
Build source distribution
Test interfaces to databases and applications
3m 10s
Test interfaces to databases and applications
Test interface to Muscle 5
26s
Test interface to Muscle 5
Build documentation
4m 48s
Build documentation
Run benchmarks
12m 24s
Run benchmarks
Upload CCD to GitHub Releases
5s
Upload CCD to GitHub Releases
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
0s
Upload documentation to GitHub Releases and documentation website
Upload package to GitHub Releases & PyPI
0s
Upload package to GitHub Releases & PyPI
Fit to window
Zoom out
Zoom in

Annotations

2 errors, 21 warnings, and 3 notices
Check code style
Process completed with exit code 1.
Test interfaces to databases and applications
Process completed with exit code 1.
Generate wheels matrix
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. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Check code style
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. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build CCD and wheel for reusing it in several CI jobs
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/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Upload CCD to GitHub Releases
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/download-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Test interface to Muscle 5
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/download-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build source distribution
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Test interfaces to databases and applications
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/download-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build documentation
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/cache/restore@v4, actions/checkout@v4, actions/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp313-macosx_arm64, macos-latest)
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp312-macosx_arm64, macos-latest)
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp314-macosx_arm64, macos-latest)
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp313-manylinux_aarch64, ubuntu-24.04-arm)
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/download-artifact@v4, actions/upload-artifact@v4, docker/setup-qemu-action@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp314-manylinux_aarch64, ubuntu-24.04-arm)
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/download-artifact@v4, actions/upload-artifact@v4, docker/setup-qemu-action@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp312-manylinux_aarch64, ubuntu-24.04-arm)
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/download-artifact@v4, actions/upload-artifact@v4, docker/setup-qemu-action@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp313-win_amd64, windows-latest)
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp313-manylinux_x86_64, ubuntu-latest)
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/download-artifact@v4, actions/upload-artifact@v4, docker/setup-qemu-action@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp312-manylinux_x86_64, ubuntu-latest)
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/download-artifact@v4, actions/upload-artifact@v4, docker/setup-qemu-action@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp314-manylinux_x86_64, ubuntu-latest)
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/download-artifact@v4, actions/upload-artifact@v4, docker/setup-qemu-action@v3. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Run benchmarks
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/download-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp312-win_amd64, windows-latest)
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp314-win_amd64, windows-latest)
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/download-artifact@v4, actions/upload-artifact@v4. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
Build & Test (cp313-macosx_arm64, macos-latest)
The macos-latest label will migrate to macOS 26 beginning June 15, 2026. For more information see https://github.com/actions/runner-images/issues/14167
Build & Test (cp312-macosx_arm64, macos-latest)
The macos-latest label will migrate to macOS 26 beginning June 15, 2026. For more information see https://github.com/actions/runner-images/issues/14167
Build & Test (cp314-macosx_arm64, macos-latest)
The macos-latest label will migrate to macOS 26 beginning June 15, 2026. For more information see https://github.com/actions/runner-images/issues/14167

Artifacts

Produced during runtime
Name Size Digest
ccd Expired
37.2 MB
sha256:0bbb3491da93b87eb056d9558ba5406a5bbe051b80d862d37f6d126e061191cf
documentation Expired
74.8 MB
sha256:b8e2b5d9e86dafb8e7db5ed2c64b2b0ae3bbcdfcb641c502d0ded731eac7d1bd
internal-build Expired
41.4 MB
sha256:f6acb46fed5984dee5915970f1fc323735739b5125c9cde68d0b17ff49e3087d
release-cp312-macosx_arm64 Expired
41.2 MB
sha256:7510486c709322fe037ffea1322c9bef00bc8810eca3cd912e66a4a14563cf7e
release-cp312-manylinux_aarch64 Expired
45.6 MB
sha256:31755ce75583bd0a75b67e34c33128db9ca1b21e808a38ca756f9b9b845870d5
release-cp312-manylinux_x86_64 Expired
45.8 MB
sha256:60f70a56f0266cafbc1e103fb8cdf2e98d34e90c3957dea6c0aee9f3bba394a7
release-cp312-win_amd64 Expired
41 MB
sha256:2437666db78e1f7e7fa4618f227c7d9175b38d2f3a07b546e85aada452a3bd5f
release-cp313-macosx_arm64 Expired
41.2 MB
sha256:fc03f1754fe5edb967d678d90b2e673b1175800ab6375e5faa5e69b4642ca196
release-cp313-manylinux_aarch64 Expired
45.6 MB
sha256:7b847bde4b974cd1e1dea76ce48d12393891a5acc0534af5b3c851555eeda6fd
release-cp313-manylinux_x86_64 Expired
45.8 MB
sha256:334d1cd41eb5b197fc79158b05af49b672ce1e7a21472e2a2965fbcc382b5cff
release-cp313-win_amd64 Expired
41 MB
sha256:422147a142aa06979e703e16605ae2c62a71a564a593158ddaaa58c2bae203fe
release-cp314-macosx_arm64 Expired
41.2 MB
sha256:37e8a30d2d34c0446080725c5d52ebc6c8dfc39b46ce6536ea2370c931b3f5ea
release-cp314-manylinux_aarch64 Expired
45.6 MB
sha256:2bb213095e7dead6b69b5e1f0f0c8698991560e2182750e29566f7f153c42b6d
release-cp314-manylinux_x86_64 Expired
45.7 MB
sha256:0424b8372ca358fe9c4eaa4f766482791f14c369422fd711fcd3238e55578bce
release-cp314-win_amd64 Expired
41 MB
sha256:8fbe09f791a8e5b1277c36c2036fd2de71edfb7cc77cfc32895d9f45b4dc50ec
release-sdist Expired
38.1 MB
sha256:f836dd4c6b7c8af446d6bcc1e70b57f8cf45e30bab260394fd120f55dec3db31