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

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

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16 changes: 15 additions & 1 deletion .github/workflows/build.yaml
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Original file line number Diff line number Diff line change
@@ -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:
Expand All @@ -12,9 +17,18 @@ jobs:
include:
- name: deepmd-kit
platform: linux-64
Comment on lines 18 to 19
- 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:
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13 changes: 12 additions & 1 deletion deepmd-kit/construct.yaml
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Original file line number Diff line number Diff line change
@@ -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") %}
Comment on lines +5 to +7
{% if cuda_version == '' %}
{% set variant = "cpu" %}
{% set variant_version = "cpu" %}
Expand Down Expand Up @@ -29,12 +34,18 @@ specs:
- openmpi
{% endif %}
- libblas * *mkl
{% if with_tf %}
- tensorflow >=2.19
# jax
{% endif %}
{% if with_pt %}
- pytorch {{ torch_version }}
{% endif %}
Comment on lines +40 to +42
{% if with_jax %}
- jax
- jaxlib * {{ variant }}*
- flax >=0.10.0
- orbax-checkpoint
{% endif %}

ignore_duplicate_files: True

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