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ci: setup GA (#6)
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.github/workflows/build.yml

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---
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name: build
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on: [push]
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jobs:
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conda-tests:
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name: Test with conda (${{ matrix.os }})
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runs-on: ${{ matrix.os }}
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continue-on-error: ${{ matrix.experimental }}
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strategy:
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fail-fast: false
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matrix:
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include:
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- os: ubuntu-18.04
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pip_cache_path: ~/.cache/pip
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experimental: false
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- os: macos-latest
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pip_cache_path: ~/Library/Caches/pip
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experimental: false
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defaults:
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run:
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shell: bash -l {0} # For conda
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env:
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# Increase this value to reset cache if conda.yml and requirements.txt
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# have not changed
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CACHE_NUMBER: 0
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steps:
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- uses: actions/checkout@v2
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- name: Checkout and setup python
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uses: actions/setup-python@v2
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with:
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python-version: 3.6
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architecture: 'x64'
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- name: Cache conda
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uses: actions/cache@v2
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with:
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path: ~/conda_pkgs_dir # from: conda-incubator/setup-miniconda@v2
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key: ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{
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hashFiles('conda.yml') }}
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- name: Cache pip
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uses: actions/cache@v2
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with:
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path: ${{ matrix.pip_cache_path }}
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key: ${{ runner.os }}-pip--${{ env.CACHE_NUMBER }}-${{
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hashFiles('requirements.txt') }}
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- name: Conda environment setup
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uses: conda-incubator/setup-miniconda@v2
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with:
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activate-environment: toxsmi
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environment-file: conda.yml
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auto-activate-base: false
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use-only-tar-bz2: true # This needs to be set for proper caching
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auto-update-conda: true # Required for windows for `use-only-tar-bz2`
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- name: Install dependencies and test code
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run: |
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pip3 install --no-cache-dir -r requirements.txt
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pip3 install --no-deps .
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python3 -c "import toxsmi"
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python3 scripts/train_baselines.py -h
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python3 scripts/train_tox.py -h
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- name: Send Slack notification
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uses: 8398a7/action-slack@v2
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if: always()
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with:
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status: ${{ job.status }}
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text: "CI Build ${{ matrix.os }}"
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author_name: ${{ github.actor }}
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env:
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SLACK_WEBHOOK_URL: ${{ secrets.SLACK_HOOK_URL }}
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GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}

.travis.yml

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.travis/Dockerfile

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README.md

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[![Build Status](https://github.com/PaccMann/toxsmi/actions/workflows/build.yml/badge.svg)](https://github.com/PaccMann/toxsmi/actions/workflows/build.yml)
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# toxsmi
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PyTorch implementation of `toxsmi`, a package for toxicity prediction models

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