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Integrating ruff precommit #1955

Integrating ruff precommit

Integrating ruff precommit #1955

Workflow file for this run

name: Deploy and test ersilia on PR
on:
pull_request:
branches: [ master ]
push:
branches: [ master ]
workflow_dispatch:
permissions:
contents: read
jobs:
build:
runs-on: ubuntu-latest
defaults:
run:
shell: bash -el {0}
steps:
- uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # [email protected]
- uses: conda-incubator/setup-miniconda@v3
with:
auto-update-conda: true
python-version: "3.10.10"
- name: Install dependencies
run: |
conda init
conda install git-lfs -c conda-forge
git-lfs install
conda install gh -c conda-forge
- name: Install Ersilia
run: |
python --version
echo "After conda init"
conda init
python -m pip install -e .[test]
- name: Run Ruff
run: ruff check --output-format=github .
- name: Hub catalog
run: |
ersilia catalog --hub
- name: Fetch model from GitHub
run: |
ersilia -v fetch molecular-weight --from_github
echo "Serving molecular-weight model."
ersilia serve molecular-weight --track
ersilia info
ersilia run -i "CC(=O)OC1=CC=CC=C1C(=O)O" | grep "180.15899"
ersilia close
- name: Fetch model from S3
run: |
ersilia -v fetch molecular-weight --from_s3
echo "Serving molecular-weight model."
ersilia serve molecular-weight --track
ersilia info
ersilia run -i "CC(=O)OC1=CC=CC=C1C(=O)O" | grep "180.15899"
ersilia close
- name: Fetch model from DockerHub
run: |
ersilia -v fetch molecular-weight --from_dockerhub
echo "Serving molecular-weight model." --track
ersilia serve molecular-weight
ersilia info
ersilia run -i "CC(=O)OC1=CC=CC=C1C(=O)O" | grep "180.15899"
ersilia close
- name: Local catalog
run: |
ersilia catalog --local