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Unify PySCF and GPU4PySCF nuclear-gradient computation #451

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Unify PySCF and GPU4PySCF nuclear-gradient computation

Unify PySCF and GPU4PySCF nuclear-gradient computation #451

Triggered via pull request September 1, 2026 12:22
@JensWehnerJensWehner
synchronize #131
refactor/unify-gradient-core
Status Success
Total duration 4m 50s
Artifacts 1

examples.yml

on: pull_request
skala-checkpoint
11s
skala-checkpoint
Matrix: gauxc
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skala-checkpoint
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/upload-artifact@ea165f8d65b6e75b540449e92b4886f43607fa02. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (mpi, development, c)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (mpi, pinned-release, cpp)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (openmp, pinned-release, c)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (mpi, development, fortran)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (openmp, development, cpp)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (openmp, pinned-release, fortran)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (mpi, development, cpp)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (mpi, pinned-release, fortran)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (openmp, pinned-release, cpp)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (openmp, development, c)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (mpi, pinned-release, c)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
gauxc (openmp, development, fortran)
Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5, actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0. 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
skala-checkpoint
2.14 MB
sha256:08f981a72d187e8fb7d5e50859efbdefed775c2f183020045a8c3e641c695a08