Merge pull request #46 from Acellera/ci

Ci

.github/unittests/install_dependencies.sh

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+python -m pip install --upgrade pip
+python -m pip install flake8 pytest pytest-cov hydra-core tqdm torch torchvision MolScore promptsmiles
+
+if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+
+pip install torchrl
+
+cd ../acegen-open
+pip install -e .

.github/unittests/install_dependencies.shyy

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+python -m pip install --upgrade pip
+python -m pip install flake8 pytest pytest-cov hydra-core tqdm torch torchvision, MolScore, promptsmiles
+
+pip install torchrl
+
+cd ../acegen-open
+pip install -e .

.github/unittests/install_dependencies_nightly.sh

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+python -m pip install --upgrade pip
+python -m pip install flake8 pytest pytest-cov hydra-core tqdm
+
+# Not using nightly torch, MolScore, promptsmiles
+python -m pip install torch torchvision MolScore promptsmiles
+# python -m pip install --pre torch --extra-index-url https://download.pytorch.org/whl/nightly/cpu --force-reinstall
+
+cd ../acegen-open
+pip install -e .
+pip uninstall --yes torchrl
+pip uninstall --yes tensordict
+
+cd ..
+python -m pip install git+https://github.com/pytorch-labs/tensordict.git
+git clone https://github.com/pytorch/rl.git
+cd rl
+python setup.py develop

.github/workflows/lint.yml

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+name: lint
+
+on:
+  push:
+    branches: [ $default-branch , "main" ]
+  pull_request:
+    branches: [ $default-branch , "main" ]
+
+permissions:
+  contents: read
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.11"]
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v3
+      with:
+        python-version: ${{ matrix.python-version }}
+
+    - name: Lint
+      run: |
+        python -m pip install --upgrade pip
+        pip install pre-commit
+        
+        set +e
+        pre-commit run --all-files
+        
+        if [ $? -ne 0 ]; then
+          git --no-pager diff
+          exit 1
+        fi

.github/workflows/unit_tests.yml

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+name: unit_tests
+
+on:
+  push:
+    branches: [ $default-branch , "main" ]
+  pull_request:
+    branches: [ $default-branch , "main" ]
+
+permissions:
+  contents: read
+
+jobs:
+  tests:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.9", "3.10","3.11"]
+        os: [ubuntu-latest]
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v3
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+       bash .github/unittest/install_dependencies_nightly.sh
+
+    - name: Test with pytest
+      run: |
+        pytest test/ --doctest-modules --junitxml=junit/test-results.xml --cov=. --cov-report=xml --cov-report=html
+
+    - if: matrix.python-version == '3.11' && matrix.os == 'ubuntu-latest'
+      name: Upload coverage to Codecov
+      uses: codecov/codecov-action@v3
+      with:
+        fail_ci_if_error: false