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feat: multi-CUDA matrix + backend selection + daily nightly build - #71

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Isaiah-WU wants to merge 1 commit into
deepmodeling-activity:masterfrom
Isaiah-WU:master

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Add three features to the installer CI:

  1. Multi-CUDA support: build matrix now includes CUDA 12.6, 12.8, 12.9, and 13.1
  2. Backend selection: new env vars DP_BACKEND (all/tensorflow/pytorch/jax) and TORCH_VERSION
    allow users to select which ML backends to bundle
  3. Nightly schedule: cron: 0 2 * * * triggers daily builds, plus workflow_dispatch for manual runs

Tested: CPU + GPU (4×V100 cuda129) with PyTorch backend, dpa4 model training + LAMMPS inference
verified offline on Bohrium.

Ref: https://github.com/deepmd-kit-recipes/installer

Copilot AI review requested due to automatic review settings June 18, 2026 09:05

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Pull request overview

This PR updates the installer build pipeline to expand the CUDA build matrix, add backend selection controls for bundled ML frameworks, and run scheduled nightly builds.

Changes:

  • Adds scheduled nightly builds (cron) and manual triggering (workflow_dispatch) to the CI workflow.
  • Expands the CUDA build matrix to include additional CUDA versions (12.6, 12.8, 12.9, 13.1).
  • Introduces DP_BACKEND/TORCH_VERSION-driven conditional dependency inclusion in the constructor recipe.

Reviewed changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated 3 comments.

File Description
deepmd-kit/construct.yaml Adds backend-selection env vars and conditional inclusion of TensorFlow / PyTorch / JAX dependencies.
.github/workflows/build.yaml Adds nightly schedule + manual dispatch and expands the CUDA build matrix entries.

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Comment thread deepmd-kit/construct.yaml
Comment on lines +5 to +7
{% set with_tf = backend in ("all","tensorflow") %}
{% set with_pt = backend in ("all","pytorch") and torch_version %}
{% set with_jax = backend in ("all","jax") %}
Comment thread deepmd-kit/construct.yaml
Comment on lines +40 to +42
{% if with_pt %}
- pytorch {{ torch_version }}
{% endif %}
Comment on lines 18 to 19
- name: deepmd-kit
platform: linux-64
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2 participants