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Yn update (#304)

Yn update (#304) #167

Workflow file for this run

name: Build and Publish Docker
on:
push:
branches:
- main
jobs:
docker:
runs-on: ubuntu-latest
steps:
-
name: Checkout
uses: actions/checkout@v3
-
name: Set up QEMU
uses: docker/setup-qemu-action@v2
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v2
-
name: Login to DockerHub
uses: docker/login-action@v2
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Free Disk Space (Ubuntu)
uses: jlumbroso/free-disk-space@main
with:
# this might remove tools that are actually needed,
# if set to "true" but frees about 6 GB
tool-cache: false
# all of these default to true, but feel free to set to
# "false" if necessary for your workflow
android: true
dotnet: true
haskell: true
large-packages: true
docker-images: false
swap-storage: false
-
name: Set up swap space
uses: pierotofy/[email protected]
with:
swap-size-gb: 10
-
name: Build and push with rdma
uses: docker/build-push-action@v3
with:
context: ./unimol/docker/
push: true
tags: dptechnology/unimol:latest-pytorch1.11.0-cuda11.3
publish_package:
name: Publish package
needs: [docker]
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- uses: actions/setup-python@v4
with:
python-version: '3.10'
- name: Build core package
env:
FLASH_ATTENTION_SKIP_CUDA_BUILD: "TRUE"
run: |
pip install setuptools wheel twine
cd unimol_tools
python setup.py sdist --dist-dir=dist
- name: Deploy
env:
TWINE_USERNAME: "__token__"
TWINE_PASSWORD: ${{ secrets.PYPI_TOKEN }}
run: |
cd unimol_tools
python -m twine upload dist/*