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Add config for thesis defense #116

Add config for thesis defense

Add config for thesis defense #116

Workflow file for this run

name: "Test"
on:
push:
branches:
- main
paths-ignore:
- "docs/**"
- "README.md"
- "LICENSE"
- ".gitignore"
pull_request:
branches:
- main
paths-ignore:
- "docs/**"
- "README.md"
- "LICENSE"
- ".gitignore"
jobs:
pytest:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
python-version: ["3.10", "3.11"]
torch-version: [2.0.1]
include:
- torch-version: 2.0.1
steps:
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: "pip"
- name: Install PyTorch ${{ matrix.torch-version }}+cpu
run: |
pip install --upgrade pip setuptools wheel
pip install torch==${{ matrix.torch-version}} --extra-index-url https://download.pytorch.org/whl/cpu
pip install torch-scatter -f https://data.pyg.org/whl/torch-${{ matrix.torch-version }}+cpu.html
pip install torch-sparse -f https://data.pyg.org/whl/torch-${{ matrix.torch-version }}+cpu.html
- name: Install molsets and TopoNetX (before fixes)
run: |
pip install rdkit
pip install Cython
pip install pomegranate
pip install git+https://github.com/molecularsets/moses.git
pip install git+https://github.com/pyt-team/TopoNetX.git@a389bd8bb11c731bb98d79da8392e3396ea9db8c
- name: Fix moses and TopoNetX
run: |
python ./.github/workflows/apply_fixes.py
- name: Install requirements
run: |
pip install -r requirements.txt
- name: Run tests [pytest]
run: |
pytest tests/ --cov --cov-report=xml:coverage.xml -W ignore::DeprecationWarning
- name: Upload coverage
uses: codecov/codecov-action@v3
with:
token: ${{ secrets.CODECOV_TOKEN }}
file: coverage.xml
fail_ci_if_error: false