diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml index 9b73e95..238648f 100644 --- a/.github/workflows/build.yaml +++ b/.github/workflows/build.yaml @@ -1,6 +1,11 @@ name: Build -on: [push, pull_request] +on: + push: + pull_request: + schedule: + - cron: '0 2 * * *' # daily at 2 AM UTC — nightly build + workflow_dispatch: # allow manual trigger from GitHub UI jobs: build: @@ -12,9 +17,18 @@ jobs: include: - name: deepmd-kit platform: linux-64 + - name: deepmd-kit + cuda: '12.6' + platform: linux-64 + - name: deepmd-kit + cuda: '12.8' + platform: linux-64 - name: deepmd-kit cuda: '12.9' platform: linux-64 + - name: deepmd-kit + cuda: '13.1' + platform: linux-64 env: version: "3.2.0b0" steps: diff --git a/deepmd-kit/construct.yaml b/deepmd-kit/construct.yaml index ff6b01c..21251d1 100644 --- a/deepmd-kit/construct.yaml +++ b/deepmd-kit/construct.yaml @@ -1,5 +1,10 @@ {% set version = os.environ.get("VERSION") %} {% set cuda_version = os.environ.get("CUDA_VERSION") %} +{% set backend = os.environ.get("DP_BACKEND", "all") %} +{% set torch_version = os.environ.get("TORCH_VERSION", "") %} +{% set with_tf = backend in ("all","tensorflow") %} +{% set with_pt = backend in ("all","pytorch") and torch_version %} +{% set with_jax = backend in ("all","jax") %} {% if cuda_version == '' %} {% set variant = "cpu" %} {% set variant_version = "cpu" %} @@ -29,12 +34,18 @@ specs: - openmpi {% endif %} - libblas * *mkl +{% if with_tf %} - tensorflow >=2.19 -# jax +{% endif %} +{% if with_pt %} +- pytorch {{ torch_version }} +{% endif %} +{% if with_jax %} - jax - jaxlib * {{ variant }}* - flax >=0.10.0 - orbax-checkpoint +{% endif %} ignore_duplicate_files: True