🚚 rename files

      continue-on-error: true

      shell: bash -l {0}

      run: |

        source scripts/install_deepchem_conda.bash

        source scripts/install_deepchem_conda.sh

    - name: Install all dependencies

      shell: bash -l {0}

      run: |

        source scripts/install_deepchem_conda.bash ${{ matrix.python-version }} cpu

        source scripts/install_deepchem_conda.sh ${{ matrix.python-version }} cpu

    - name: Build DeepChem from source

      shell: bash -l {0}

      run: |

        include:

          - os: ubuntu-latest

            python-version: 3.6

    env:

      OS: ${{ matrix.os }}

      PYTHON_VERSION: ${{ matrix.python-version }}

    steps:

    - uses: actions/checkout@v2

      with:

        fetch-depth: 0

    # This 

    # The range of commits to check for changes is:

    # - `origin/master...` for all events happening on a feature branch

    # - for events on the master branch we compare against the sha before the event

    #   (note that this does not work for feature branch events since we want all

    #   commits on the feature branch and not just the commits of the last event)

    # - for pull requests we compare against the 1st ancestor, given the current

    #   HEAD is the merge between the PR branch and the base branch

    - name: Set commit range (push to the feature branch)

      if: github.ref != 'refs/heads/master' && github.event_name == 'push'

      run: |

        git fetch origin master

        echo "COMMIT_RANGE=origin/master..." >> $GITHUB_ENV

    - name: Set commit range (push to the master branch, e.g. merge)

      if: github.ref == 'refs/heads/master' && github.event_name == 'push'

      run: echo "COMMIT_RANGE=${{ github.event.before }}.." >> $GITHUB_ENV

    - name: Set commit range (pull request)

      if: github.event_name == 'pull_request'

      run: echo "COMMIT_RANGE=HEAD~.." >> $GITHUB_ENV

    - name: Cache pip packages for Linux

      if: startsWith(runner.os, 'Linux')

      uses: actions/cache@v2

    - name: Install DeepChem

      shell: bash -l {0}

      run: pip install -e .

    - name: mypy

    - name: Yapf

      shell: bash -l {0}

      run: source scripts/yapf_for_ci.sh

    - name: Flake8

      shell: bash -l {0}

      run: source scripts/flake8_for_ci.sh

    - name: Mypy

      shell: bash -l {0}

      run: mypy -p deepchem

    - name: doctest

    - name: Doctest

      shell: bash -l {0}

      run: DGLBACKEND=pytorch pytest -v --ignore-glob='deepchem/**/test*.py' --doctest-modules deepchem

    - name: pytest

    - name: PyTest

      shell: bash -l {0}

      run: pytest -v -m "not slow" --cov=deepchem deepchem

      run: pytest -v -m "not slow" --cov=deepchem --cov-report=xml deepchem

    - name: Upload coverage to Codecov

      uses: codecov/codecov-action@v1

      with:

        file: ./coverage.xml

        env_vars: OS,PYTHON_VERSION

        fail_ci_if_error: true

        verbose: true

RUN conda update -n base conda && \

    git clone --depth 1 https://github.com/deepchem/deepchem.git && \

    cd deepchem && \

    source scripts/install_deepchem_conda.bash 3.7 gpu && \

    source scripts/install_deepchem_conda.sh 3.7 gpu && \

    conda activate deepchem && \

    pip install -e . && \

    conda clean -afy && \

.. code-block:: bash

    source scripts/install_deepchem_conda.bash 3.7 cpu

    source scripts/install_deepchem_conda.sh 3.7 cpu

If you want GPU support (we supports only CUDA 10.1):

.. code-block:: bash

    source scripts/install_deepchem_conda.bash 3.7 gpu

    source scripts/install_deepchem_conda.sh 3.7 gpu

If you are using the Windows and the PowerShell:

# This script may work on only Bash and Zsh

# usage: source scripts/flake8_for_ci.sh

items=(

    "deepchem/data"

    "deepchem/dock"