Update notebook reference (#4024) #6
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name: Test for DeepChem Tensorflow | |
on: | |
push: # ci work when pushing master branch | |
branches: | |
- master | |
pull_request: # ci work when creating a PR to master branch | |
branches: | |
- master | |
jobs: | |
tf-build: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
os: [ubuntu-latest] | |
python-version: ['3.8', '3.10', '3.11'] | |
include: | |
- os: windows-latest | |
python-version: 3.9 | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Cache pip modules for Linux | |
uses: actions/cache@v4 | |
with: | |
path: ~/.cache/pip | |
key: ${{ runner.os }}-pip-${{ hashFiles('requirements/tensorflow/**') }} | |
restore-keys: | | |
${{ runner.os }}-pip- | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v5 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: Build DeepChem | |
run: | | |
python -m pip install --upgrade pip | |
pip install -e '.[tensorflow]' | |
- name: Import checking | |
run: python -c "import deepchem; import tensorflow;" | |
tf-test: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
os: [ubuntu-latest] | |
python-version: ['3.8', '3.10', '3.11'] | |
include: | |
- os: windows-latest | |
python-version: '3.9' | |
env: | |
OS: ${{ matrix.os }} | |
PYTHON_VERSION: ${{ matrix.python-version }} | |
steps: | |
- name: Maximize build space | |
if: matrix.os == 'ubuntu-latest' | |
run: | | |
sudo rm -rf /usr/share/dotnet | |
sudo rm -rf /opt/ghc | |
sudo rm -rf "/usr/local/share/boost" | |
sudo rm -rf "$AGENT_TOOLSDIRECTORY" | |
sudo rm -rf /usr/local/lib/android | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
# https://github.com/galaxyproject/tools-iuc/blob/master/.github/workflows/pr.yaml | |
# The range of commits to check for changes is: | |
# - 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 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: | | |
git fetch origin master | |
echo "COMMIT_RANGE=origin/master..." >> $GITHUB_ENV | |
- name: Cache pip packages for Linux | |
if: runner.os == 'Linux' | |
uses: actions/cache@v4 | |
with: | |
path: ~/.cache/pip | |
key: ${{ runner.os }}-pip-${{ hashFiles('requirements/tensorflow/**') }} | |
restore-keys: | | |
${{ runner.os }}-pip- | |
- name: Cache pip packages for MacOS | |
if: runner.os == 'macOS' | |
uses: actions/cache@v4 | |
with: | |
path: ~/Library/Caches/pip | |
key: ${{ matrix.os }}-pip-${{ hashFiles('requirements/tensorflow/**') }} | |
restore-keys: | | |
${{ runner.os }}-pip- | |
- name: Cache pip packages for Windows | |
if: runner.os == 'Windows' | |
uses: actions/cache@v4 | |
with: | |
path: ~\AppData\Local\pip\Cache | |
key: ${{ matrix.os }}-pip-${{ hashFiles('requirements/tensorflow/**') }} | |
restore-keys: | | |
${{ runner.os }}-pip- | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v5 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: Create env.yml for python 3.8 | |
shell: bash | |
# A special case of environment creation for python 3.8 which includes an older version of matminer | |
if: ${{ matrix.python-version == '3.8' }} | |
run: | | |
python -m pip install --upgrade pip; | |
pip install conda-merge; | |
conda-merge requirements/env_common_3_8.yml requirements/env_test.yml requirements/tensorflow/env_tensorflow.cpu.yml > env.yml | |
- name: Create env.yml for python 3.9+ | |
shell: bash | |
if: ${{ matrix.python-version != '3.8' }} | |
run: | | |
python -m pip install --upgrade pip; | |
pip install conda-merge; | |
conda-merge requirements/env_common.yml requirements/env_test.yml requirements/tensorflow/env_tensorflow.cpu.yml > env.yml | |
- name: Install all dependencies | |
uses: conda-incubator/setup-miniconda@v3 | |
with: | |
miniconda-version: "latest" | |
auto-update-conda: true | |
activate-environment: deepchem | |
channels: conda-forge,defaults | |
python-version: ${{ matrix.python-version }} | |
environment-file: env.yml | |
- name: Install DeepChem | |
id: install | |
shell: bash -l {0} | |
run: pip install -e . | |
- name: PyTest | |
if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }} | |
shell: bash -l {0} | |
run: pytest -v -m 'tensorflow' deepchem |