diff --git a/.github/actions/setup-poetry-env/action.yml b/.github/actions/setup-poetry-env/action.yml new file mode 100644 index 0000000..550aa12 --- /dev/null +++ b/.github/actions/setup-poetry-env/action.yml @@ -0,0 +1,42 @@ +name: "setup-poetry-env" +description: "Composite action to setup the Python and poetry environment." + +inputs: + python-version: + required: false + description: "The python version to use" + default: "3.11" + +runs: + using: "composite" + steps: + - name: Set up python + uses: actions/setup-python@v5 + with: + python-version: ${{ inputs.python-version }} + + - name: Install Poetry + env: + POETRY_VERSION: "1.7.1" + run: curl -sSL https://install.python-poetry.org | python - -y + shell: bash + + - name: Add Poetry to Path + run: echo "$HOME/.local/bin" >> $GITHUB_PATH + shell: bash + +# - name: Configure Poetry virtual environment in project +# run: poetry config virtualenvs.in-project true +# shell: bash + + - name: Load cached venv + id: cached-poetry-dependencies + uses: actions/cache@v4 + with: + path: .venv + key: venv-${{ runner.os }}-${{ inputs.python-version }}-${{ hashFiles('poetry.lock') }} + + - name: Install dependencies + if: steps.cached-poetry-dependencies.outputs.cache-hit != 'true' + run: poetry install --no-interaction + shell: bash \ No newline at end of file diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index a5651f7..182d4a2 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -1,13 +1,14 @@ name: Continuous integration on: - - push + push: + pull_request: jobs: getVersionNumber: name: Get version number - if: startsWith(github.ref, 'refs/tags/') && github.actor != 'biosimulators-daemon' && !contains(github.event.head_commit.message, '[skip ci]') - runs-on: ubuntu-20.04 + if: "startsWith(github.ref, 'refs/tags/') && github.actor != 'allcontributors' && !contains(github.event.head_commit.message, '[skip ci]')" + runs-on: ubuntu-22.04 outputs: version: ${{ steps.get-version-number.outputs.version }} steps: @@ -18,15 +19,21 @@ jobs: run: | version="${TAG/refs\/tags\//}" echo "version=$version" >> $GITHUB_OUTPUT - echo "version=$version" build: name: Lint, test, and compile documentation - if: github.actor != 'biosimulators-daemon' && !contains(github.event.head_commit.message, '[skip ci]') - runs-on: ubuntu-20.04 + if: "!contains(github.event.head_commit.message, '[skip ci]') && github.actor != 'allcontributors'" + runs-on: ubuntu-22.04 + strategy: + matrix: + python-version: [ "3.10" ] + fail-fast: false + defaults: + run: + shell: bash steps: - name: Checkout repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: fetch-depth: 1 @@ -39,17 +46,9 @@ jobs: - name: Install Python uses: actions/setup-python@v2 with: - python-version: '3.9' + python-version: '3.10' - - name: Setup pip cache - uses: actions/cache@v2 - with: - path: /opt/hostedtoolcache/Python - key: ${{ runner.os }}-pip-${{ hashFiles('requirements.txt') }}-${{ hashFiles('requirements.optional.txt') }} - restore-keys: | - ${{ runner.os }}-pip- - - - name: Install pip + - name: Install pip and setuptools run: | python -m pip install pip==23.0.0 python -m pip install pip==23.0.0 @@ -68,23 +67,23 @@ jobs: - name: Install XPP run: | - sudo apt-get install -y --no-install-recommends xppaut + sudo apt-get install -y --no-install-recommends wget make gcc libx11-dev libc6-dev xppaut - name: Install Singularity # to validate that the Docker image can be converted into a Singularity image uses: eWaterCycle/setup-singularity@v6 # install package - - name: Install the package - run: | - python -m pip install git+https://github.com/biosimulators/RBApy.git#egg=rbapy - python -m pip install .[all] + - name: Set up the environment + uses: ./.github/actions/setup-poetry-env + with: + python-version: ${{ matrix.python-version }} # zip COMBINE/OMEX archives - name: Zip COMBINE/OMEX archives run: | sudo apt-get update -y sudo apt-get install -y --no-install-recommends zipcmp - python scripts/zip_examples.py + poetry run python scripts/zip_examples.py - id: commit-archives name: Commit zipped COMBINE/OMEX archives @@ -116,25 +115,18 @@ jobs: branch: ${{ steps.commit-archives.outputs.branch }} # lint - - name: Install flake8 - run: python -m pip install flake8 - - name: Lint the package - run: python -m flake8 - - # test and upload coverage report to Codecov - - name: Install pytest - run: python -m pip install pytest pytest-cov - - - name: Install the requirements for the tests - run: python -m pip install .[tests] + run: poetry run python -m flake8 $GITHUB_WORKSPACE/biosimulators_test_suite - name: Run the tests - # env: - # BIOSIMULATORS_API_ENDPOINT: https://api.biosimulators.dev/ # uncomment to run tests using the dev deployment uses: GabrielBB/xvfb-action@v1 + env: + MPLBACKEND: PDF + # BIOSIMULATORS_API_ENDPOINT: https://api.biosimulators.dev/ # uncomment to execute tests with the dev deployment with: - run: python -m pytest tests/ --cov=./biosimulators_test_suite --cov-report=xml + run: | + poetry run python -m pip install --upgrade setuptools + poetry run python -m pytest tests/ --cov=./biosimulators_test_suite --cov-report=xml - name: Upload the coverage report to Codecov uses: codecov/codecov-action@v2 @@ -145,26 +137,31 @@ jobs: # compile documentation - name: Install the requirements for compiling the documentation - run: python -m pip install -r docs-src/requirements.txt + run: poetry install --with docs - name: Compile the documentation run: | - sphinx-apidoc . setup.py --output-dir docs-src/source --force --module-first --no-toc + poetry run sphinx-apidoc . setup.py --output-dir docs-src/source --force --module-first --no-toc mkdir -p docs-src/_static - sphinx-build docs-src docs + poetry run sphinx-build docs-src docs + + - name: Setup tmate session 3 (if failed) + uses: mxschmitt/action-tmate@v3 + if: ${{ failure() }} + timeout-minutes: 40 release: name: Release a new version needs: [getVersionNumber, build] - runs-on: ubuntu-20.04 + runs-on: ubuntu-22.04 outputs: docsChanged: ${{ steps.commit-docs.outputs.docsChanged }} steps: - name: Checkout code - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: fetch-depth: 1 - branch: deploy + ref: dev - name: Configure Git run: | @@ -172,65 +169,43 @@ jobs: git config --local user.name "biosimulatorsdaemon" git config pull.rebase false - - name: Install Python - uses: actions/setup-python@v2 - with: - python-version: '3.9' - - - name: Setup pip cache - uses: actions/cache@v2 + - name: Set up the environment + uses: ./.github/actions/setup-poetry-env with: - path: /opt/hostedtoolcache/Python - key: ${{ runner.os }}-pip-${{ hashFiles('requirements.txt') }}-${{ hashFiles('requirements.optional.txt') }} - restore-keys: | - ${{ runner.os }}-pip- - - - name: Install pip and setuptools - run: | - #python -m pip install --upgrade pip - python -m pip install --upgrade setuptools - - # install package - - name: Install the package - run: | - python -m pip install git+https://github.com/biosimulators/RBApy.git#egg=rbapy - python -m pip install .[all] + python-version: ${{ matrix.python-version }} # compile and push documentation - name: Install the requirements for compiling the documentation - run: python -m pip install -r docs-src/requirements.txt + run: poetry install --with docs - name: Compile the documentation run: | - sphinx-apidoc . setup.py --output-dir docs-src/source --force --module-first --no-toc + poetry run sphinx-apidoc . setup.py --output-dir docs-src/source --force --module-first --no-toc mkdir -p docs-src/_static - sphinx-build docs-src docs + poetry run sphinx-build docs-src docs - id: commit-docs name: Commit the compiled documentation run: | - git stash || true + git stash git pull set +e - git stash pop || true + git stash pop git add docs - git add docs-src - git commit -m "chore: Updating compiled documentation [skip ci]" - git checkout . - git clean -f -d + git commit -m "chore: Updated compiled documentation [skip ci]" if [[ $? = 0 ]]; then - docsChanged=1 + changed=1 else - docsChanged=0 + changed=0 fi - echo "docsChanged=$docsChanged" >> $GITHUB_OUTPUT + echo "changed=$changed" >> $GITHUB_OUTPUT - name: Push the compiled documentation - if: steps.commit-docs.outputs.docsChanged == '1' + if: steps.commit-identifiers-namespaces.outputs.changed == '1' || steps.commit-docs.outputs.changed == '1' uses: ad-m/github-push-action@master with: github_token: ${{ secrets.GITHUB_TOKEN }} - branch: deploy + branch: dev # Create GitHub release - name: Create GitHub release @@ -242,26 +217,12 @@ jobs: release_name: Release ${{ needs.getVersionNumber.outputs.version }} # Create PyPI release - - name: Install pandoc - run: | - sudo apt-get update -y - sudo apt-get install -y pandoc - - - name: Convert README to .rst format - run: pandoc --from=gfm --output=README.rst --to=rst README.md - - - name: Install twine - run: | - python -m pip install wheel twine - - name: Create packages to upload to PyPI run: | - python setup.py sdist - python setup.py bdist_wheel + poetry build - name: Upload packages to PyPI env: - TWINE_USERNAME: __token__ - TWINE_PASSWORD: ${{ secrets.PYPI_TOKEN }} + POETRY_PYPI_TOKEN_PYPI: ${{ secrets.PYPI_TOKEN }} run: | - twine upload dist/* + poetry publish --no-interaction --username __token__ --password $POETRY_PYPI_TOKEN_PYPI diff --git a/.gitignore b/.gitignore index 037e82f..ae2df6d 100644 --- a/.gitignore +++ b/.gitignore @@ -21,3 +21,7 @@ docs/.buildinfo docs/.doctrees/ docs/_raw_sources/ docs/_sources/ + +# Development IDEs +.idea +.idea/* \ No newline at end of file diff --git a/Pipfile b/Pipfile new file mode 100644 index 0000000..3dcc6f4 --- /dev/null +++ b/Pipfile @@ -0,0 +1,20 @@ +[[source]] +url = "https://pypi.org/simple" +verify_ssl = true +name = "pypi" + +[packages] +biosimulators-utils = {version = ">=0.1.175", extras = ["bngl", "cellml", "containers", "lems", "neuroml", "sbml", "smoldyn"]} +cement = "<=3.0.6" 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a/biosimulators_test_suite/_version.py +++ b/biosimulators_test_suite/_version.py @@ -1 +1 @@ -__version__ = '0.1.88' +__version__ = '0.2' diff --git a/biosimulators_test_suite/config.py b/biosimulators_test_suite/config.py index 0d51e08..35c6e20 100644 --- a/biosimulators_test_suite/config.py +++ b/biosimulators_test_suite/config.py @@ -7,6 +7,7 @@ """ import os +from typing import Union class Config(object): @@ -36,30 +37,27 @@ class Config(object): runbiosimulations_api_endpoint (:obj:`str`): Base URL for the runBioSimulations API test_case_timeout (:obj:`int`): time out for test cases in seconds user_to_exec_in_simulator_containers (:obj:`str` or :obj:`None`): user id or name to execute calls inside simulator containers - * Use ``_CURRENT_USER_`` to indicate that the Docker container should execute commands as the current user (``os.getuid()``) * Use the format ``[:]`` to indicate any other user/group that the Docker container should use to execute commands - singularity_image_dirname (:obj:`str`): directory to save Singularity images """ def __init__(self, - pull_docker_image=None, docker_hub_username=None, docker_hub_token=None, - biosimulators_auth_endpoint=None, biosimulators_audience=None, - biosimulators_api_client_id=None, biosimulators_api_client_secret=None, - biosimulators_prod_api_endpoint=None, - biosimulators_dev_api_endpoint=None, - biosimulators_curator_gh_ids=None, biosimulators_default_specifications_version=None, - biosimulators_default_image_version=None, biosimulators_docker_registry_url=None, - biosimulators_docker_registry_username=None, biosimulators_docker_registry_token=None, - biosimulators_docker_image_url_pattern=None, - runbiosimulations_auth_endpoint=None, runbiosimulations_audience=None, - runbiosimulations_api_client_id=None, runbiosimulations_api_client_secret=None, - runbiosimulations_api_endpoint=None, - test_case_timeout=None, - user_to_exec_in_simulator_containers=None, - singularity_image_dirname=None): + pull_docker_image: bool = None, docker_hub_username: str = None, docker_hub_token: str = None, + biosimulators_auth_endpoint: str = None, biosimulators_audience: str = None, + biosimulators_api_client_id: str = None, biosimulators_api_client_secret: str = None, + biosimulators_prod_api_endpoint: str = None, biosimulators_dev_api_endpoint: str = None, + biosimulators_curator_gh_ids: "list[str]" = None, biosimulators_default_specifications_version: str = None, + biosimulators_default_image_version: str = None, biosimulators_docker_registry_url: str = None, + biosimulators_docker_registry_username: str = None, biosimulators_docker_registry_token: str = None, + biosimulators_docker_image_url_pattern: str = None, + runbiosimulations_auth_endpoint: str = None, runbiosimulations_audience: str = None, + runbiosimulations_api_client_id: str = None, runbiosimulations_api_client_secret: str = None, + runbiosimulations_api_endpoint: str = None, + test_case_timeout: int = None, + user_to_exec_in_simulator_containers: "Union[str, None]" = None, + singularity_image_dirname: str = None): """ Args: pull_docker_image (:obj:`bool`, optional): whether to pull the Docker image for the simulator (default: :obj:`True`) @@ -94,134 +92,135 @@ def __init__(self, """ # Docker registry if pull_docker_image is None: - self.pull_docker_image = os.getenv('PULL_DOCKER_IMAGE', '1').lower() in ['1', 'true'] + self.pull_docker_image: bool = os.getenv('PULL_DOCKER_IMAGE', '1').lower() in ['1', 'true'] else: - self.pull_docker_image = pull_docker_image + self.pull_docker_image: bool = pull_docker_image # Docker Hub if docker_hub_username is None: - self.docker_hub_username = os.getenv('DOCKER_HUB_USERNAME') + self.docker_hub_username: str = os.getenv('DOCKER_HUB_USERNAME') else: - self.docker_hub_username = docker_hub_username + self.docker_hub_username: str = docker_hub_username if docker_hub_token is None: - self.docker_hub_token = os.getenv('DOCKER_HUB_TOKEN') + self.docker_hub_token: str = os.getenv('DOCKER_HUB_TOKEN') else: - self.docker_hub_token = docker_hub_token + self.docker_hub_token: str = docker_hub_token # BioSimulators if biosimulators_auth_endpoint is None: - self.biosimulators_auth_endpoint = os.getenv('BIOSIMULATORS_AUTH_ENDPOINT', 'https://auth.biosimulations.org/oauth/token') + self.biosimulators_auth_endpoint: str = os.getenv('BIOSIMULATORS_AUTH_ENDPOINT', 'https://auth.biosimulations.org/oauth/token') else: - self.biosimulators_auth_endpoint = biosimulators_auth_endpoint + self.biosimulators_auth_endpoint: str = biosimulators_auth_endpoint if biosimulators_audience is None: - self.biosimulators_audience = os.getenv('BIOSIMULATORS_AUDIENCE', 'api.biosimulators.org') + self.biosimulators_audience: str = os.getenv('BIOSIMULATORS_AUDIENCE', 'api.biosimulators.org') else: - self.biosimulators_audience = biosimulators_audience + self.biosimulators_audience: str = biosimulators_audience if biosimulators_api_client_id is None: - self.biosimulators_api_client_id = os.getenv('BIOSIMULATORS_API_CLIENT_ID') + self.biosimulators_api_client_id: str = os.getenv('BIOSIMULATORS_API_CLIENT_ID') else: - self.biosimulators_api_client_id = biosimulators_api_client_id + self.biosimulators_api_client_id: str = biosimulators_api_client_id if biosimulators_api_client_secret is None: - self.biosimulators_api_client_secret = os.getenv('BIOSIMULATORS_API_CLIENT_SECRET') + self.biosimulators_api_client_secret: str = os.getenv('BIOSIMULATORS_API_CLIENT_SECRET') else: - self.biosimulators_api_client_secret = biosimulators_api_client_secret + self.biosimulators_api_client_secret: str = biosimulators_api_client_secret if biosimulators_prod_api_endpoint is None: - self.biosimulators_prod_api_endpoint = os.getenv('BIOSIMULATORS_PROD_API_ENDPOINT', 'https://api.biosimulators.org/') + self.biosimulators_prod_api_endpoint: str = os.getenv('BIOSIMULATORS_PROD_API_ENDPOINT', 'https://api.biosimulators.org/') else: - self.biosimulators_prod_api_endpoint = biosimulators_prod_api_endpoint + self.biosimulators_prod_api_endpoint: str = biosimulators_prod_api_endpoint if biosimulators_dev_api_endpoint is None: - self.biosimulators_dev_api_endpoint = os.getenv('BIOSIMULATORS_DEV_API_ENDPOINT', 'https://api.biosimulators.dev/') + self.biosimulators_dev_api_endpoint: str = os.getenv('BIOSIMULATORS_DEV_API_ENDPOINT', 'https://api.biosimulators.dev/') else: - self.biosimulators_dev_api_endpoint = biosimulators_dev_api_endpoint + self.biosimulators_dev_api_endpoint: str = biosimulators_dev_api_endpoint if biosimulators_curator_gh_ids is None: ids = os.getenv('BIOSIMULATORS_CURATOR_GH_IDS', 'jonrkarr').strip() if ids: - self.biosimulators_curator_gh_ids = [id.strip() for id in ids.split(',')] + self.biosimulators_curator_gh_ids: "list[str]" = [id.strip() for id in ids.split(',')] else: - self.biosimulators_curator_gh_ids = [] + self.biosimulators_curator_gh_ids: "list[str]" = [] else: - self.biosimulators_curator_gh_ids = biosimulators_curator_gh_ids + self.biosimulators_curator_gh_ids: "list[str]" = biosimulators_curator_gh_ids if biosimulators_default_specifications_version is None: - self.biosimulators_default_specifications_version = os.getenv('BIOSIMULATORS_DEFAULT_SPECIFICATIONS_VERSION', '1.0.0') + self.biosimulators_default_specifications_version: str = os.getenv('BIOSIMULATORS_DEFAULT_SPECIFICATIONS_VERSION', '1.0.0') else: - self.biosimulators_default_specifications_version = biosimulators_default_specifications_version + self.biosimulators_default_specifications_version: str = biosimulators_default_specifications_version if biosimulators_default_image_version is None: - self.biosimulators_default_image_version = os.getenv('BIOSIMULATORS_DEFAULT_IMAGE_VERSION', '1.0.0') + self.biosimulators_default_image_version: str = os.getenv('BIOSIMULATORS_DEFAULT_IMAGE_VERSION', '1.0.0') else: - self.biosimulators_default_image_version = biosimulators_default_image_version + self.biosimulators_default_image_version: str = biosimulators_default_image_version if biosimulators_docker_registry_url is None: - self.biosimulators_docker_registry_url = os.getenv( + self.biosimulators_docker_registry_url: str = os.getenv( 'BIOSIMULATORS_DOCKER_REGISTRY_URL', os.getenv('DOCKER_REGISTRY_URL', 'ghcr.io')) else: - self.biosimulators_docker_registry_url = biosimulators_docker_registry_url + self.biosimulators_docker_registry_url: str = biosimulators_docker_registry_url if biosimulators_docker_registry_username is None: - self.biosimulators_docker_registry_username = os.getenv( + self.biosimulators_docker_registry_username: str = os.getenv( 'BIOSIMULATORS_DOCKER_REGISTRY_USERNAME', os.getenv('DOCKER_REGISTRY_USERNAME')) else: - self.biosimulators_docker_registry_username = biosimulators_docker_registry_username + self.biosimulators_docker_registry_username: str = biosimulators_docker_registry_username if biosimulators_docker_registry_token is None: - self.biosimulators_docker_registry_token = os.getenv( + self.biosimulators_docker_registry_token: str = os.getenv( 'BIOSIMULATORS_DOCKER_REGISTRY_TOKEN', os.getenv('DOCKER_REGISTRY_TOKEN')) else: - self.biosimulators_docker_registry_token = biosimulators_docker_registry_token + self.biosimulators_docker_registry_token: str = biosimulators_docker_registry_token if biosimulators_docker_image_url_pattern is None: - self.biosimulators_docker_image_url_pattern = os.getenv( + self.biosimulators_docker_image_url_pattern: str = os.getenv( 'BIOSIMULATORS_DOCKER_REGISTRY_IMAGE_URL_PATTERN', 'ghcr.io/biosimulators/{}:{}') else: - self.biosimulators_docker_image_url_pattern = biosimulators_docker_image_url_pattern + self.biosimulators_docker_image_url_pattern: str = biosimulators_docker_image_url_pattern # runBioSimulations if runbiosimulations_auth_endpoint is None: - self.runbiosimulations_auth_endpoint = os.getenv( + self.runbiosimulations_auth_endpoint: str = os.getenv( 'RUNBIOSIMULATIONS_AUTH_ENDPOINT', 'https://auth.biosimulations.org/oauth/token') else: - self.runbiosimulations_auth_endpoint = runbiosimulations_auth_endpoint + self.runbiosimulations_auth_endpoint: str = runbiosimulations_auth_endpoint if runbiosimulations_audience is None: - self.runbiosimulations_audience = os.getenv('RUNBIOSIMULATIONS_AUDIENCE', 'api.biosimulations.org') + self.runbiosimulations_audience: str = os.getenv('RUNBIOSIMULATIONS_AUDIENCE', 'api.biosimulations.org') else: - self.runbiosimulations_audience = runbiosimulations_audience + self.runbiosimulations_audience: str = runbiosimulations_audience if runbiosimulations_api_client_id is None: - self.runbiosimulations_api_client_id = os.getenv('RUNBIOSIMULATIONS_API_CLIENT_ID') + self.runbiosimulations_api_client_id: str = os.getenv('RUNBIOSIMULATIONS_API_CLIENT_ID') else: - self.runbiosimulations_api_client_id = runbiosimulations_api_client_id + self.runbiosimulations_api_client_id: str = runbiosimulations_api_client_id if runbiosimulations_api_client_secret is None: - self.runbiosimulations_api_client_secret = os.getenv('RUNBIOSIMULATIONS_API_CLIENT_SECRET') + self.runbiosimulations_api_client_secret: str = os.getenv('RUNBIOSIMULATIONS_API_CLIENT_SECRET') else: - self.runbiosimulations_api_client_secret = runbiosimulations_api_client_secret + self.runbiosimulations_api_client_secret: str = runbiosimulations_api_client_secret if runbiosimulations_api_endpoint is None: - self.runbiosimulations_api_endpoint = os.getenv('RUNBIOSIMULATIONS_API_ENDPOINT', 'https://api.biosimulations.org/') + self.runbiosimulations_api_endpoint: str = os.getenv('RUNBIOSIMULATIONS_API_ENDPOINT', 'https://api.biosimulations.org/') else: - self.runbiosimulations_api_endpoint = runbiosimulations_api_endpoint + self.runbiosimulations_api_endpoint: str = runbiosimulations_api_endpoint if test_case_timeout is None: - self.test_case_timeout = int(os.getenv('TEST_CASE_TIMEOUT', '600')) # seconds + self.test_case_timeout: int = int(os.getenv('TEST_CASE_TIMEOUT', '600')) # seconds else: - self.test_case_timeout = test_case_timeout + self.test_case_timeout: int = test_case_timeout if user_to_exec_in_simulator_containers is None: - self.user_to_exec_in_simulator_containers = os.getenv('USER_TO_EXEC_IN_SIMULATOR_CONTAINERS', '_CURRENT_USER_') or None + self.user_to_exec_in_simulator_containers: "Union[str, None]" = os.getenv( + 'USER_TO_EXEC_IN_SIMULATOR_CONTAINERS', '_CURRENT_USER_') or None else: - self.user_to_exec_in_simulator_containers = user_to_exec_in_simulator_containers + self.user_to_exec_in_simulator_containers: "Union[str, None]" = user_to_exec_in_simulator_containers if singularity_image_dirname is None: - self.singularity_image_dirname = os.getenv('SINGULARITY_IMAGE_DIRNAME', - os.path.join(os.path.expanduser('~'), '.biosimulators-test-suite', 'singularity')) + self.singularity_image_dirname: str = os.getenv('SINGULARITY_IMAGE_DIRNAME', os.path.join(os.path.expanduser('~'), + '.biosimulators-test-suite', 'singularity')) else: - self.singularity_image_dirname = singularity_image_dirname + self.singularity_image_dirname: str = singularity_image_dirname diff --git a/biosimulators_test_suite/data_model.py b/biosimulators_test_suite/data_model.py index 6df983f..6cdcdb4 100644 --- a/biosimulators_test_suite/data_model.py +++ b/biosimulators_test_suite/data_model.py @@ -6,8 +6,7 @@ :License: MIT """ -from .config import Config -from .exceptions import SkippedTestCaseException # noqa: F401 +from biosimulators_test_suite.config import Config from biosimulators_utils.image import get_docker_image import abc import docker diff --git a/biosimulators_test_suite/exec_cli.py b/biosimulators_test_suite/exec_cli.py index 1e5365e..ecdb7f8 100644 --- a/biosimulators_test_suite/exec_cli.py +++ b/biosimulators_test_suite/exec_cli.py @@ -6,9 +6,10 @@ :License: MIT """ -from .data_model import OutputMedium -from .results.data_model import TestCaseResultType -from .results.io import write_test_results +from biosimulators_test_suite.data_model import OutputMedium +from biosimulators_test_suite.results.data_model import TestCaseResultType +from biosimulators_test_suite.results.io import write_test_results + from biosimulators_utils.config import Colors import biosimulators_test_suite import biosimulators_test_suite.exec_core diff --git a/biosimulators_test_suite/exec_core.py b/biosimulators_test_suite/exec_core.py index cddaab5..58e2b17 100644 --- a/biosimulators_test_suite/exec_core.py +++ b/biosimulators_test_suite/exec_core.py @@ -6,18 +6,21 @@ :License: MIT """ -from .config import Config -from .data_model import TestCase, OutputMedium -from .exceptions import SkippedTestCaseException, TimeoutException -from .results.data_model import TestCaseResult, TestCaseResultType -from .test_case import cli -from .test_case import combine_archive -from .test_case import docker_image -from .test_case import log -from .test_case import published_project -from .test_case import results_report -from .test_case import sedml -from .warnings import TestCaseWarning, IgnoredTestCaseWarning +from biosimulators_test_suite.config import Config +from biosimulators_test_suite.data_model import TestCase, OutputMedium +from biosimulators_test_suite.exceptions import SkippedTestCaseException, TimeoutException +from biosimulators_test_suite.results.data_model import TestCaseResult, TestCaseResultType +from biosimulators_test_suite.test_case import cli +from biosimulators_test_suite.test_case import combine_archive +from biosimulators_test_suite.test_case import docker_image +from biosimulators_test_suite.test_case import log +from biosimulators_test_suite.test_case import published_project +from biosimulators_test_suite.test_case import results_report +from biosimulators_test_suite.test_case import sedml +from biosimulators_test_suite.test_warnings import TestCaseWarning, IgnoredTestCaseWarning +from typing import Union +from types import ModuleType +from biosimulators_utils.globals import JSONType from biosimulators_utils.config import Colors from biosimulators_utils.log.utils import StandardOutputErrorCapturer import biosimulators_utils.simulator.io @@ -54,12 +57,13 @@ class SimulatorValidator(object): archives rather than a Docker image """ - def __init__(self, specifications, case_ids=None, verbose=False, synthetic_archives_dir=None, output_medium=OutputMedium.console, - log_std_out_err=True, working_dirname=None, dry_run=False, cli=None, validate_specs=True): + def __init__(self, specifications: Union[str, JSONType], case_ids: "list[str]" = None, verbose: bool = False, synthetic_archives_dir: str = None, + output_medium: OutputMedium = OutputMedium.console, log_std_out_err: bool = True, working_dirname: str = None, + dry_run: bool = False, cli: str = None, validate_specs: bool = True): """ Args: specifications (:obj:`str` or :obj:`dict`): path or URL to the specifications of the simulator, or the specifications of the simulator - case_ids (:obj:`list` of :obj:`str`, optional): List of ids of test cases to verify. If :obj:`ids` + case_ids (:obj:`list` of :obj:`str`, optional): List of ids of test cases to verify. If :obj:`case_ids` is none, all test cases are verified. verbose (:obj:`bool`, optional): if :obj:`True`, display stdout/stderr from executing cases in real time synthetic_archives_dir (:obj:`str`, optional): Directory to save the synthetic COMBINE/OMEX archives generated by the test cases @@ -72,10 +76,8 @@ def __init__(self, specifications, case_ids=None, verbose=False, synthetic_archi validate_specs (:obj:`bool`, optional): whether to validate specifications """ # if necessary, get and validate specifications of simulator - if isinstance(specifications, str): - specifications = biosimulators_utils.simulator.io.read_simulator_specs(specifications, validate=validate_specs) - - self.specifications = specifications + self.specifications: JSONType = biosimulators_utils.simulator.io.read_simulator_specs( + specifications, validate=validate_specs) if isinstance(specifications, str) else specifications self.verbose = verbose if synthetic_archives_dir and not os.path.isdir(synthetic_archives_dir): os.makedirs(synthetic_archives_dir) @@ -90,7 +92,7 @@ def __init__(self, specifications, case_ids=None, verbose=False, synthetic_archi self.test_case_timeout = Config().test_case_timeout - def find_cases(self, ids=None): + def find_cases(self, ids: "list[str]" = None) -> "collections.OrderedDict[ModuleType, TestCase]": """ Find test cases Args: @@ -98,9 +100,9 @@ def find_cases(self, ids=None): is none, all test cases are verified. Returns: - :obj:`collections.OrderedDict` of :obj:`types.ModuleType` to :obj:`TestCase`: groups of test cases + :obj:`collections.OrderedDict` of :obj:`types.ModuleType` mapped to :obj:`list` of :obj:`TestCase`: groups of test cases """ - cases = collections.OrderedDict() + cases: collections.OrderedDict[ModuleType, list[TestCase]] = collections.OrderedDict() # get cases involving curated published COMBINE/OMEX archives all_published_projects_test_cases, compatible_published_projects_test_cases = published_project.find_cases( @@ -156,15 +158,16 @@ def find_cases(self, ids=None): # return discovered cases return cases - def find_cases_in_module(self, module, published_projects_test_cases, ids=None): + def find_cases_in_module(self, module: ModuleType, published_projects_test_cases: "list[published_project.SimulatorCanExecutePublishedProject]", + ids: "list[str]" = None): """ Discover test cases in a module Args: module (:obj:`types.ModuleType`): module - ids (:obj:`list` of :obj:`str`, optional): List of ids of test cases to verify. If :obj:`ids` - is none, all test cases are verified. published_projects_test_cases (:obj:`list` of :obj:`published_project.SimulatorCanExecutePublishedProject`): test cases involving executing curated COMBINE/OMEX archives + ids (:obj:`list` of :obj:`str`, optional): List of ids of test cases to verify. If :obj:`ids` + is none, all test cases are verified. Returns: :obj:`list` of :obj:`TestCase`: test cases @@ -235,7 +238,7 @@ def run(self): start = datetime.datetime.now() # execute test cases and collect results - results = [] + results: list[TestCaseResult] = [] working_dirname = self.working_dirname or tempfile.mkdtemp() for suite_name, suite_cases in self.cases.items(): print('\nExecuting {} {} tests ... {}'.format(len(suite_cases), suite_name, 'done' if not suite_cases else '')) @@ -243,6 +246,7 @@ def run(self): print(' {}: {} ... '.format(i_case + 1, case.id), end='') sys.stdout.flush() + # Process one test case. result = self.eval_case(case, os.path.join(working_dirname, suite_name, case.id)) results.append(result) @@ -265,7 +269,7 @@ def run(self): # return results return results - def eval_case(self, case, working_dirname): + def eval_case(self, case: TestCase, working_dirname: str): """ Evaluate a test case for a simulator Args: @@ -281,7 +285,6 @@ def eval_case(self, case, working_dirname): with warnings.catch_warnings(record=True) as caught_warnings: warnings.simplefilter("ignore") warnings.simplefilter("always", TestCaseWarning) - try: with time_limit(seconds=self.test_case_timeout): diff --git a/biosimulators_test_suite/exec_gh_action.py b/biosimulators_test_suite/exec_gh_action.py index a2deb6d..97998e4 100644 --- a/biosimulators_test_suite/exec_gh_action.py +++ b/biosimulators_test_suite/exec_gh_action.py @@ -7,12 +7,13 @@ :License: MIT """ -from .config import Config -from .data_model import OutputMedium -from .exec_core import SimulatorValidator -from .results.data_model import TestCaseResult, TestCaseResultType, TestResultsReport # noqa: F401 -from .results.io import write_test_results -from .utils import get_singularity_image_filename +from biosimulators_test_suite.config import Config +from biosimulators_test_suite.data_model import OutputMedium +from biosimulators_test_suite.exec_core import SimulatorValidator +from biosimulators_test_suite.results.data_model import TestCaseResult, TestCaseResultType, TestResultsReport +from biosimulators_test_suite.results.io import write_test_results +from biosimulators_test_suite.utils import get_singularity_image_filename +from biosimulators_utils.globals import JSONType from biosimulators_utils.biosimulations.utils import validate_biosimulations_api_response from biosimulators_utils.config import Colors, Config as BioSimulatorsUtilsConfig from biosimulators_utils.gh_action.data_model import Comment, GitHubActionCaughtError # noqa: F401 @@ -22,19 +23,20 @@ from biosimulators_utils.simulator_registry.process_submission import get_simulator_submission_from_gh_issue_body from biosimulators_utils.simulator_registry.query import get_simulator_version_specs from natsort import natsort_keygen +from docker.client import DockerClient +from typing import Tuple import biosimulators_utils.image import biosimulators_utils.simulator.io import requests import requests.exceptions import termcolor - __all__ = [ 'ValidateCommitSimulatorGitHubAction', ] -def get_uncaught_exception_msg(exception): +def get_uncaught_exception_msg(exception: Exception) -> "list[Comment]": """ Create an error message to display to users for all exceptions not caught during the exception of the :obj:`run` method (exceptions of all types except :obj:`GitHubActionCaughtError`) @@ -42,9 +44,9 @@ def get_uncaught_exception_msg(exception): exception (:obj:`Exception`): a failure encountered during the exception of the :obj:`run` method Returns: - :obj:`str`: error message to display to users + :obj:`list`: of :obj:`str`: error messages to display to users """ - gh_action_run_url = GitHubAction.get_gh_action_run_url() + gh_action_run_url: str = GitHubAction.get_gh_action_run_url() return [ Comment(text='The validation/submission of your simulator failed.'), Comment(text=str(exception), error=True), @@ -64,13 +66,14 @@ class ValidateCommitSimulatorGitHubAction(GitHubAction): """ Action to validate a containerized simulator Attributes: + config (:obj:`Config`): configuration of the app issue_number (:obj:`str`): number of GitHub issue which triggered the action """ def __init__(self): super(ValidateCommitSimulatorGitHubAction, self).__init__() - self.config = Config() - self.issue_number = self.get_issue_number() + self.config: Config = Config() + self.issue_number: str = self.get_issue_number() @GitHubActionErrorHandling.catch_errors(uncaught_exception_msg_func=get_uncaught_exception_msg, caught_error_labels=[IssueLabel.invalid], @@ -79,11 +82,11 @@ def run(self): """ Validate and commit a simulator.""" # Get properties of submission - issue_props = self.get_issue(self.issue_number) - submission = get_simulator_submission_from_gh_issue_body(issue_props['body']) - submitter = issue_props['user']['login'] + issue_props: JSONType = self.get_issue(self.issue_number) + submission: SimulatorSubmission = get_simulator_submission_from_gh_issue_body(issue_props['body']) + submitter: str = issue_props['user']['login'] - # Send message that validation is starting + # Send message that validation/submission is starting self.add_comment_to_issue(self.issue_number, self.get_initial_message(submission, submitter)) # reset labels except approved @@ -96,12 +99,12 @@ def run(self): self.add_labels_to_issue(self.issue_number, [IssueLabel.validated.value]) # get specifications of other versions of simulator - config = BioSimulatorsUtilsConfig() - existing_version_specifications = get_simulator_version_specs(specifications['id'], config) + config: Config = BioSimulatorsUtilsConfig() + existing_version_specifications: JSONType = get_simulator_version_specs(specifications['id'], config) # determine if simulator is approved: issue is a revision of an existing version of a validated simulator, # a new version of a validated simulator, or the issue has been manually approved by the BioSimulators Team - approved = self.is_simulator_approved(specifications, existing_version_specifications) + approved: bool = self.is_simulator_approved(specifications, existing_version_specifications) # if approved, label the issue as approved if approved and IssueLabel.approved.value not in self.get_labels_for_issue(self.issue_number): @@ -135,38 +138,35 @@ def run(self): ('A member of the BioSimulators team will review your submission and ' 'publish your image before final committment to the registry.')) - def get_initial_message(self, submission, submitter): + def get_initial_message(self, submission: SimulatorSubmission, submitter: str) -> str: """ Peport message that validation is starting Args: submission (:obj:`SimulatorSubmission`): simulator submission submitter (:obj:`str`): GitHub user name of person who executed the submission """ - actions = [] - not_actions = [] + actions_list: list[str] = [] + not_actions_list: list[str] = [] - actions.append('validating the specifications of your simulator') + actions_list.append('validating the specifications of your simulator') if submission.validate_image: - actions.append('validating your Docker image') - test_results_msg = ( + actions_list.append('validating your Docker image') + test_results_msg: str = ( ' The results of the validation of your tool will also be saved as a JSON file. ' 'A link to this file will be available for 90 days from the "Artifacts" section at the bottom of this page.' ) else: - not_actions.append('You have chosen not to have the Docker image for your simulator validated.') - test_results_msg = '' + not_actions_list.append('You have chosen not to have the Docker image for your simulator validated.') + test_results_msg: str = '' if submission.commit_simulator: - job_type = 'submission' - actions.append('committing your simulator to the BioSimulators registry') + job_type: str = 'submission' + actions_list.append('committing your simulator to the BioSimulators registry') else: - job_type = 'validation' - not_actions.append('You have chosen not to submit your simulator to the BioSimulators registry.') + job_type: str = 'validation' + not_actions_list.append('You have chosen not to submit your simulator to the BioSimulators registry.') - if len(actions) == 1: - actions = actions[0] - else: - actions = ', '.join(actions[0:-1]) + ', and ' + actions[-1] - not_actions = ' '.join(action.strip() for action in not_actions) + actions: str = actions_list[0] if len(actions_list) == 1 else str(', '.join(actions_list[0:-1]) + ', and ' + actions_list[-1]) + not_actions: str = str(' '.join(action.strip() for action in not_actions_list)) return ('Thank you @{} for your submission to the BioSimulators simulator validation/submission system!\n\n' 'The BioSimulators validator bot is {}. {}\n\n' @@ -174,7 +174,7 @@ def get_initial_message(self, submission, submitter): 'A complete log of your simulator {} job will be available for 90 days [here]({}).{}\n\n' ).format(submitter, actions, not_actions, job_type, self.get_gh_action_run_url(), test_results_msg) - def exec_core(self, submission, submitter): + def exec_core(self, submission: SimulatorSubmission, submitter: str) -> Tuple[JSONType, "list[TestCaseResult]"]: """ Validate simulator * Validate specifications @@ -187,11 +187,11 @@ def exec_core(self, submission, submitter): Returns: :obj:`tuple`: - * :obj:`dict`: specifications of a simulation tool - * :obj:`list` of :obj:`TestCaseResults`: results of test cases + * :obj:`dict`: json-parsed specifications of a simulation tool + * :obj:`list` of :obj:`TestCaseResult`: results of test cases """ # validate specifications - specifications = biosimulators_utils.simulator.io.read_simulator_specs( + specifications: JSONType = biosimulators_utils.simulator.io.read_simulator_specs( submission.specifications_url, submission.specifications_patch, validate=True) @@ -203,7 +203,7 @@ def exec_core(self, submission, submitter): # validate image if submission.validate_image: - test_results = self.validate_image(specifications) + test_results: list[TestCaseResult] = self.validate_image(specifications) # Main executable self.add_comment_to_issue(self.issue_number, 'The image for your simulator is valid!') else: test_results = None @@ -281,20 +281,20 @@ def validate_permissions(self, simulator_id, simulator_name, submitter): ).format(submitter, simulator_name, simulator_id, simulator_name, simulator_name) self.add_error_comment_to_issue(self.issue_number, [Comment(text=msg, error=True)]) - def validate_image(self, specifications): + def validate_image(self, specifications: JSONType) -> "list[TestCaseResult]": """ Validate a Docker image for simulation tool Args: specifications (:obj:`dict`): specifications of a simulation tool Returns: - :obj:`list` of :obj:`TestCaseResults`: results of test cases + :obj:`list` of :obj:`TestCaseResult`: results of test cases """ - docker_client = biosimulators_utils.image.login_to_docker_registry( + docker_client: DockerClient = biosimulators_utils.image.login_to_docker_registry( 'docker.io', self.config.docker_hub_username, self.config.docker_hub_token) # validate that container (Docker image) exists - image_url = specifications['image']['url'] + image_url: str = specifications['image']['url'] get_docker_image(docker_client, image_url, pull=True) # validate that Docker image can be converted to a Singularity image @@ -303,8 +303,8 @@ def validate_image(self, specifications): singularity_filename=get_singularity_image_filename(image_url)) # validate that image is consistent with the BioSimulators standards - validator = SimulatorValidator(specifications, output_medium=OutputMedium.gh_issue) - case_results = validator.run() + validator: SimulatorValidator = SimulatorValidator(specifications, output_medium=OutputMedium.gh_issue) + case_results: list[TestCaseResult] = validator.run() write_test_results(case_results, '.biosimulators-test-suite-results.json', gh_issue=int(self.issue_number), gh_action_run=int(self.get_gh_action_run_id())) summary, failure_details, warning_details, skipped_details = validator.summarize_results( @@ -584,7 +584,7 @@ def get_auth_headers_for_biosimulations_api(self, endpoint, audience, client_id, return {'Authorization': response_data['token_type'] + ' ' + response_data['access_token']} @classmethod - def add_comment_to_issue(cls, issue_number, comment, alternative_comment=None, max_len=65536): + def add_comment_to_issue(cls, issue_number: str, comment: str, alternative_comment: str = None, max_len: int = 65536) -> None: """ Post a comment to the GitHub issue Args: diff --git a/biosimulators_test_suite/results/data_model.py b/biosimulators_test_suite/results/data_model.py index ef4f328..63d75c4 100644 --- a/biosimulators_test_suite/results/data_model.py +++ b/biosimulators_test_suite/results/data_model.py @@ -6,8 +6,7 @@ :License: MIT """ -from .._version import __version__ -from ..warnings import TestCaseWarning # noqa: F401 +from biosimulators_test_suite._version import __version__ import enum import traceback diff --git a/biosimulators_test_suite/results/io.py b/biosimulators_test_suite/results/io.py index 16f7a87..b11e401 100644 --- a/biosimulators_test_suite/results/io.py +++ b/biosimulators_test_suite/results/io.py @@ -6,7 +6,7 @@ :License: MIT """ -from .data_model import TestCaseResult, TestResultsReport # noqa: F401 +from biosimulators_test_suite.results.data_model import TestResultsReport import json __all__ = ['write_test_results'] diff --git a/biosimulators_test_suite/test_case/cli.py b/biosimulators_test_suite/test_case/cli.py index c11c117..d859c12 100644 --- a/biosimulators_test_suite/test_case/cli.py +++ b/biosimulators_test_suite/test_case/cli.py @@ -6,8 +6,8 @@ :License: MIT """ -from ..data_model import TestCase -from ..warnings import TestCaseWarning +from biosimulators_test_suite.data_model import TestCase +from biosimulators_test_suite.test_warnings import TestCaseWarning from biosimulators_utils.simulator.environ import ENVIRONMENT_VARIABLES import re import subprocess diff --git a/biosimulators_test_suite/test_case/combine_archive.py b/biosimulators_test_suite/test_case/combine_archive.py index 490da19..b748e37 100644 --- a/biosimulators_test_suite/test_case/combine_archive.py +++ b/biosimulators_test_suite/test_case/combine_archive.py @@ -6,8 +6,8 @@ :License: MIT """ -from ..warnings import InvalidOutputsWarning -from .published_project import SingleMasterSedDocumentCombineArchiveTestCase +from biosimulators_test_suite.test_warnings import InvalidOutputsWarning +from biosimulators_test_suite.test_case.published_project import SingleMasterSedDocumentCombineArchiveTestCase from biosimulators_utils.combine.data_model import CombineArchive, CombineArchiveContent, CombineArchiveContentFormat # noqa: F401 from biosimulators_utils.report.io import ReportReader from biosimulators_utils.sedml.data_model import SedDocument, Report # noqa: F401 diff --git a/biosimulators_test_suite/test_case/docker_image.py b/biosimulators_test_suite/test_case/docker_image.py index 02a7ff1..94150b1 100644 --- a/biosimulators_test_suite/test_case/docker_image.py +++ b/biosimulators_test_suite/test_case/docker_image.py @@ -6,9 +6,9 @@ :License: MIT """ -from ..data_model import TestCase -from ..warnings import TestCaseWarning -from .sedml import SimulatorSupportsModelsSimulationsTasksDataGeneratorsAndReports +from biosimulators_test_suite.data_model import TestCase +from biosimulators_test_suite.test_warnings import TestCaseWarning +from biosimulators_test_suite.test_case.sedml import SimulatorSupportsModelsSimulationsTasksDataGeneratorsAndReports from biosimulators_utils.simulator.environ import ENVIRONMENT_VARIABLES import warnings diff --git a/biosimulators_test_suite/test_case/log.py b/biosimulators_test_suite/test_case/log.py index ceb45d3..99180ca 100644 --- a/biosimulators_test_suite/test_case/log.py +++ b/biosimulators_test_suite/test_case/log.py @@ -6,8 +6,8 @@ :License: MIT """ -from ..config import Config -from ..exceptions import InvalidOutputsException, SkippedTestCaseException +from biosimulators_test_suite.config import Config +from biosimulators_test_suite.exceptions import InvalidOutputsException, SkippedTestCaseException from .published_project import SingleMasterSedDocumentCombineArchiveTestCase from biosimulators_utils.combine.data_model import CombineArchive # noqa: F401 from biosimulators_utils.config import get_config diff --git a/biosimulators_test_suite/test_case/published_project.py b/biosimulators_test_suite/test_case/published_project.py index 35718b6..5a13bb1 100644 --- a/biosimulators_test_suite/test_case/published_project.py +++ b/biosimulators_test_suite/test_case/published_project.py @@ -6,14 +6,17 @@ :License: MIT """ -from ..config import Config -from ..data_model import (TestCase, SedTaskRequirements, ExpectedSedReport, ExpectedSedDataSet, ExpectedSedPlot, - AlertType, OutputMedium) -from ..exceptions import InvalidOutputsException, SkippedTestCaseException, TimeoutException, TestCaseException -from ..utils import get_singularity_image_filename, simulation_results_isnan -from ..warnings import IgnoredTestCaseWarning, SimulatorRuntimeErrorWarning, InvalidOutputsWarning -from .utils import are_array_shapes_equivalent +from biosimulators_test_suite.config import Config +from biosimulators_test_suite.data_model import TestCase, SedTaskRequirements, ExpectedSedReport, ExpectedSedDataSet, \ + ExpectedSedPlot, AlertType, OutputMedium +from biosimulators_test_suite.exceptions import InvalidOutputsException, SkippedTestCaseException, TimeoutException, \ + TestCaseException +from biosimulators_test_suite.utils import get_singularity_image_filename, simulation_results_isnan +from biosimulators_test_suite.test_warnings import IgnoredTestCaseWarning, SimulatorRuntimeErrorWarning, \ + InvalidOutputsWarning +from biosimulators_test_suite.test_case.utils import are_array_shapes_equivalent from biosimulators_utils.combine.data_model import CombineArchive, CombineArchiveContentFormatPattern # noqa: F401 +from biosimulators_utils.globals import JSONType from biosimulators_utils.combine.io import CombineArchiveReader, CombineArchiveWriter from biosimulators_utils.config import get_config from biosimulators_utils.image import convert_docker_image_to_singularity @@ -272,11 +275,17 @@ def compatible_with_specifications(self, specifications): for task_reqs in self.task_requirements: reqs_satisfied = False for alg_specs in specifications['algorithms']: + # TEMPORARY RBA REMOVAL + if alg_specs['kisaoId']["id"] == "KISAO_0000669": + raise RuntimeError("Error with Algorithm Specification (KISAO_0000669):\n\tDue to incompatible, " + "outdated releases of RBApy, BioSimulators can no longer " + "support RBA processing." + f"{(alg_specs['id']) if 'id' in alg_specs else alg_specs['kisaoId']}") format_reqs_satisfied = False - for format in alg_specs['modelFormats']: + for format_in_specs in alg_specs['modelFormats']: if ( - task_reqs.model_format == format['id'] - and task_reqs.model_format_features == set(format.get('supportedFeatures', []) or []) + task_reqs.model_format == format_in_specs['id'] + and task_reqs.model_format_features == set(format_in_specs.get('supportedFeatures', []) or []) ): format_reqs_satisfied = True break @@ -673,6 +682,7 @@ def _eval_synthetic_archive(self, specifications, expected_results_of_synthetic_ cmd = [ 'singularity', 'run', '-B', outputs_dir + ':/root', + "--containall", singularity_filename, '-i', '/root/' + os.path.basename(synthetic_archive_filename), '-o', '/root', @@ -680,8 +690,10 @@ def _eval_synthetic_archive(self, specifications, expected_results_of_synthetic_ result = subprocess.run(cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE, check=False) os.remove(temp_filename) if result.returncode != 0: - msg = 'The Docker image could not be successfully executed as a Singularity image:\n {}'.format( - result.stderr.decode().replace('\n', '\n ')) + returned_statement = result.stdout.decode().replace('\n', '\n ') if result.stdout.strip() \ + else result.stdout.decode().replace('\n', '\n ') + msg = (f'The Docker image could not be successfully executed as a' + f' Singularity image (error code {result.returncode}:\n {returned_statement}') raise TestCaseException(msg) else: @@ -899,7 +911,7 @@ def __init__(self, archive, sed_documents, is_success_expected=True, environment self.environment = environment or {} -def find_cases(specifications, dir_name=None, output_medium=OutputMedium.console): +def find_cases(specifications: JSONType, dir_name: str = None, output_medium: OutputMedium = OutputMedium.console): """ Collect test cases Args: @@ -908,15 +920,17 @@ def find_cases(specifications, dir_name=None, output_medium=OutputMedium.console output_medium (:obj:`OutputMedium`, optional): medium the description should be formatted for Returns: - :obj:`list` of :obj:`SimulatorCanExecutePublishedProject`: test cases + :obj:`tuple`: + * :obj:`list` of :obj:`SimulatorCanExecutePublishedProject`: all test cases + * :obj:`list` of :obj:`SimulatorCanExecutePublishedProject`: compatible test cases """ if dir_name is None: dir_name = EXAMPLES_DIR if not os.path.isdir(dir_name): warnings.warn('Directory of example COMBINE/OMEX archives is not available', IgnoredTestCaseWarning) - all_cases = [] - compatible_cases = [] + all_cases: list[SimulatorCanExecutePublishedProject] = [] + compatible_cases: list[SimulatorCanExecutePublishedProject] = [] for example_filename in glob.glob(os.path.join(dir_name, '**/*.omex'), recursive=True): md_filename = os.path.join(example_filename[0:-5], 'expected-results.json') rel_filename = os.path.relpath(md_filename, dir_name) diff --git a/biosimulators_test_suite/test_case/results_report.py b/biosimulators_test_suite/test_case/results_report.py index 1ea310d..1b8a2d5 100644 --- a/biosimulators_test_suite/test_case/results_report.py +++ b/biosimulators_test_suite/test_case/results_report.py @@ -6,9 +6,9 @@ :License: MIT """ -from ..utils import simulation_results_isnan -from ..warnings import TestCaseWarning -from .published_project import SingleMasterSedDocumentCombineArchiveTestCase +from biosimulators_test_suite.utils import simulation_results_isnan +from biosimulators_test_suite.test_warnings import TestCaseWarning +from biosimulators_test_suite.test_case.published_project import SingleMasterSedDocumentCombineArchiveTestCase from biosimulators_utils.combine.data_model import CombineArchive # noqa: F401 from biosimulators_utils.report.data_model import ReportFormat from biosimulators_utils.report.io import ReportReader @@ -73,17 +73,17 @@ def eval_outputs(self, specifications, synthetic_archive, synthetic_sed_docs, ou with h5py.File(os.path.join(outputs_dir, 'reports.h5'), 'r') as file: - temp = file[uri].attrs.get('uri', None) + temp = ReportReader.parse_dataset_str_value(file[uri].attrs.get('uri', None)) if temp != uri: raise ValueError('`uri` of HDF5 data set `{}` must be `{}`, not `{}`.'.format(uri, uri, temp)) for i_group in range(len(uri_parts) - 1): group_uri = '/'.join(uri_parts[0:i_group + 1]) - temp = file[group_uri].attrs.get('uri', None) + temp = ReportReader.parse_dataset_str_value(file[group_uri].attrs.get('uri', None)) if temp != group_uri: raise ValueError('`uri` of HDF5 group `{}` must be `{}`, not `{}`.'.format(group_uri, group_uri, temp)) - temp = file[group_uri].attrs.get('combineArchiveLocation', None) + temp = ReportReader.parse_dataset_str_value(file[group_uri].attrs.get('combineArchiveLocation', None)) if temp != group_uri: raise ValueError('`combineArchiveLocation` of HDF5 group `{}` must be `{}`, not `{}`.'.format( group_uri, group_uri, temp)) diff --git a/biosimulators_test_suite/test_case/sedml.py b/biosimulators_test_suite/test_case/sedml.py index 0ec0c91..e52d18a 100644 --- a/biosimulators_test_suite/test_case/sedml.py +++ b/biosimulators_test_suite/test_case/sedml.py @@ -5,10 +5,11 @@ :Copyright: 2020, Center for Reproducible Biomedical Modeling :License: MIT """ -from ..exceptions import InvalidOutputsException, SkippedTestCaseException -from ..utils import simulation_results_isnan -from ..warnings import InvalidOutputsWarning -from .published_project import SingleMasterSedDocumentCombineArchiveTestCase, UniformTimeCourseTestCase, ExpectedResultOfSyntheticArchive +from biosimulators_test_suite.exceptions import InvalidOutputsException, SkippedTestCaseException +from biosimulators_test_suite.utils import simulation_results_isnan +from biosimulators_test_suite.test_warnings import InvalidOutputsWarning +from biosimulators_test_suite.test_case.published_project import SingleMasterSedDocumentCombineArchiveTestCase, \ + UniformTimeCourseTestCase, ExpectedResultOfSyntheticArchive from biosimulators_utils.combine.data_model import CombineArchive # noqa: F401 from biosimulators_utils.archive.io import ArchiveReader from biosimulators_utils.config import get_config diff --git a/biosimulators_test_suite/warnings.py b/biosimulators_test_suite/test_warnings.py similarity index 100% rename from biosimulators_test_suite/warnings.py rename to biosimulators_test_suite/test_warnings.py diff --git a/biosimulators_test_suite/utils.py b/biosimulators_test_suite/utils.py index 554530d..1577bd2 100644 --- a/biosimulators_test_suite/utils.py +++ b/biosimulators_test_suite/utils.py @@ -6,14 +6,14 @@ :License: MIT """ -from .config import Config +from biosimulators_test_suite.config import Config import numpy import os __all__ = ['get_singularity_image_filename', 'simulation_results_isnan'] -def get_singularity_image_filename(docker_image): +def get_singularity_image_filename(docker_image: str) -> str: """ Get the location where a Singularity version of a Docker image should be saved Args: diff --git a/poetry.lock b/poetry.lock new file mode 100644 index 0000000..6f79d0c --- /dev/null +++ b/poetry.lock @@ -0,0 +1,5138 @@ +# This file is automatically @generated by Poetry 1.7.1 and should not be changed by hand. + +[[package]] +name = "accessible-pygments" +version = "0.0.5" +description = "A collection of accessible pygments styles" +optional = false +python-versions = ">=3.9" +files = [ + {file = "accessible_pygments-0.0.5-py3-none-any.whl", hash = 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= "MIT License (MIT)" +readme = "README.md" +homepage = "https://github.com/biosimulators/Biosimulators_test_suite" +repository = "https://github.com/biosimulators/Biosimulators_test_suite" +classifiers = [ + 'Development Status :: 3 - Alpha', + 'Intended Audience :: Science/Research', + 'License :: OSI Approved :: MIT License', + 'Topic :: Scientific/Engineering :: Bio-Informatics', +] +keywords = ['systems', 'biology', 'modeling', 'simulation', 'BioSimulators'] + +[tool.poetry.dependencies] +python = "~3.10" + +cement = "<=3.0.6" +docker = "^7.1.0" +natsort = "<=8.1.0" +pypdf2 = "<=2.8.1" +requests = "<=2.28.1" +python-dateutil = "<2.9" +pyyaml = "<5.4" +simplejson = "<3.17.0" +termcolor = "<1.2" +#biosimulators-utils = {git = "https://github.com/biosimulators/Biosimulators_utils.git", rev = "dev", extras = ["bngl", "cellml", "lems", "neuroml", "sbml", "simularium", "escher", "containers", "logging", "rba", "smoldyn"]} +biosimulators-utils = {version = ">=0.2", extras = ["bngl", 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deleted file mode 100644 index 5c51984..0000000 --- a/requirements.optional.txt +++ /dev/null @@ -1,2 +0,0 @@ -[logging] -biosimulators_utils[logging] diff --git a/requirements.txt b/requirements.txt deleted file mode 100644 index 50766ff..0000000 --- a/requirements.txt +++ /dev/null @@ -1,10 +0,0 @@ -numpy < 1.23.0 -biosimulators_utils[containers,bngl,cellml,lems,neuroml,sbml,smoldyn] >= 0.1.172 -cement -docker -natsort -PyPDF2 -python_dateutil -pyyaml -simplejson -termcolor diff --git a/tests/results/test_results_io.py b/tests/results/test_results_io.py index 1575970..8b39e8b 100644 --- a/tests/results/test_results_io.py +++ b/tests/results/test_results_io.py @@ -2,7 +2,7 @@ from biosimulators_test_suite.data_model import TestCase from biosimulators_test_suite.results.data_model import TestCaseResult, TestCaseResultType from biosimulators_test_suite.results.io import write_test_results -from biosimulators_test_suite.warnings import TestCaseWarning +from biosimulators_test_suite.test_warnings import TestCaseWarning import json import os import shutil diff --git a/tests/test_case/test_cli.py b/tests/test_case/test_cli.py index d577325..2ca6f7f 100644 --- a/tests/test_case/test_cli.py +++ b/tests/test_case/test_cli.py @@ -1,5 +1,5 @@ from biosimulators_test_suite.test_case import cli -from biosimulators_test_suite.warnings import TestCaseWarning +from biosimulators_test_suite.test_warnings import TestCaseWarning import shutil import tempfile import unittest diff --git a/tests/test_case/test_combine_archive.py b/tests/test_case/test_combine_archive.py index aa2de60..de44aa3 100644 --- a/tests/test_case/test_combine_archive.py +++ b/tests/test_case/test_combine_archive.py @@ -1,6 +1,6 @@ from biosimulators_test_suite.test_case import combine_archive from biosimulators_test_suite.test_case.published_project import SimulatorCanExecutePublishedProject -from biosimulators_test_suite.warnings import InvalidOutputsWarning +from biosimulators_test_suite.test_warnings import InvalidOutputsWarning from biosimulators_utils.combine.data_model import CombineArchive, CombineArchiveContent, CombineArchiveContentFormat from biosimulators_utils.report.data_model import DataSetResults from biosimulators_utils.report.io import ReportWriter diff --git a/tests/test_case/test_docker_image.py b/tests/test_case/test_docker_image.py index c402dc0..9fcfd51 100644 --- a/tests/test_case/test_docker_image.py +++ b/tests/test_case/test_docker_image.py @@ -1,7 +1,7 @@ from biosimulators_test_suite.test_case import docker_image from biosimulators_test_suite.test_case.published_project import SimulatorCanExecutePublishedProject from biosimulators_test_suite.exceptions import TestCaseException -from biosimulators_test_suite.warnings import TestCaseWarning +from biosimulators_test_suite.test_warnings import TestCaseWarning import os import shutil import tempfile diff --git a/tests/test_case/test_published_project.py b/tests/test_case/test_published_project.py index f13caf1..cd1eadf 100644 --- a/tests/test_case/test_published_project.py +++ b/tests/test_case/test_published_project.py @@ -1,10 +1,12 @@ +import pytest + from biosimulators_test_suite import data_model from biosimulators_test_suite.exceptions import InvalidOutputsException, SkippedTestCaseException from biosimulators_test_suite.results.data_model import TestCaseResult, TestCaseResultType from biosimulators_test_suite.test_case.published_project import ( SimulatorCanExecutePublishedProject, find_cases, SyntheticCombineArchiveTestCase, ExpectedResultOfSyntheticArchive, UniformTimeCourseTestCase) -from biosimulators_test_suite.warnings import IgnoredTestCaseWarning, SimulatorRuntimeErrorWarning, InvalidOutputsWarning +from biosimulators_test_suite.test_warnings import IgnoredTestCaseWarning, SimulatorRuntimeErrorWarning, InvalidOutputsWarning from biosimulators_utils.archive.data_model import Archive, ArchiveFile from biosimulators_utils.archive.io import ArchiveWriter from biosimulators_utils.combine.data_model import CombineArchive @@ -58,6 +60,19 @@ def test_find_cases(self): self.assertEqual(len(all_cases), 0) self.assertEqual(len(compatible_cases), 0) + ### TEMPORARY RBA REMOVAL, REMOVE THIS NEXT SECTION IF RESTORED + with pytest.raises(RuntimeError): + all_cases, _ = find_cases({ + 'algorithms': [ + { + 'id': "rba", + 'kisaoId': {'id': 'KISAO_0000669'}, + 'modelFormats': [{'id': 'format_2585', 'supportedFeatures': []}], + } + ] + }) + + def test_SimulatorCanExecutePublishedProject_description(self): case = SimulatorCanExecutePublishedProject(task_requirements=[ data_model.SedTaskRequirements(model_format='format_2585', simulation_algorithm='KISAO_0000027'), diff --git a/tests/test_case/test_results_report.py b/tests/test_case/test_results_report.py index 2f697c8..533d3f6 100644 --- a/tests/test_case/test_results_report.py +++ b/tests/test_case/test_results_report.py @@ -1,6 +1,6 @@ from biosimulators_test_suite.test_case import results_report from biosimulators_test_suite.test_case.published_project import SimulatorCanExecutePublishedProject -from biosimulators_test_suite.warnings import TestCaseWarning +from biosimulators_test_suite.test_warnings import TestCaseWarning from biosimulators_utils.report.data_model import DataSetResults from biosimulators_utils.report.io import ReportWriter from biosimulators_utils.sedml.data_model import SedDocument, Report, DataSet diff --git a/tests/test_case/test_sedml.py b/tests/test_case/test_sedml.py index 2822c0d..c31879f 100644 --- a/tests/test_case/test_sedml.py +++ b/tests/test_case/test_sedml.py @@ -1,7 +1,7 @@ from biosimulators_test_suite.exceptions import InvalidOutputsException, SkippedTestCaseException from biosimulators_test_suite.test_case import sedml from biosimulators_test_suite.test_case.published_project import SimulatorCanExecutePublishedProject, SyntheticCombineArchiveTestCase -from biosimulators_test_suite.warnings import InvalidOutputsWarning +from biosimulators_test_suite.test_warnings import InvalidOutputsWarning from biosimulators_utils.archive.data_model import Archive, ArchiveFile from biosimulators_utils.archive.io import ArchiveWriter from biosimulators_utils.config import get_config diff --git a/tests/test_examples.py b/tests/test_examples.py index aedd390..9686ae0 100644 --- a/tests/test_examples.py +++ b/tests/test_examples.py @@ -1,3 +1,4 @@ +import pytest from biosimulators_utils.combine.io import CombineArchiveReader from biosimulators_utils.combine.data_model import CombineArchiveContentFormat from biosimulators_utils.combine.utils import get_sedml_contents @@ -36,8 +37,22 @@ def setUp(self): def tearDown(self): shutil.rmtree(self.dirname) + # @parameterized.parameterized.expand(EXAMPLES) + # def test_example_should_fail(self, name, example_filename): + # ### TEMPORARY RBA REMOVAL, REMOVE THIS TEST WHEN FIXED + # if "rba" not in example_filename: + # return + # with pytest.raises(RuntimeError): + # self.run_test_example(name, example_filename) + @parameterized.parameterized.expand(EXAMPLES) - def test_example(self, name, example_filename): + def test_example_should_pass(self, name, example_filename): + ### TEMPORARY RBA REMOVAL + if "rba" in example_filename: + return + self.run_test_example(name, example_filename) + + def run_test_example(self, name, example_filename): example_specs_filename = os.path.join(example_filename[0:-5], 'expected-results.json') example_base_dir = os.path.join(os.path.dirname(example_filename)) diff --git a/tests/test_exec_cli.py b/tests/test_exec_cli.py index 7b652af..f4de971 100644 --- a/tests/test_exec_cli.py +++ b/tests/test_exec_cli.py @@ -4,7 +4,7 @@ import biosimulators_test_suite.exec_core import biosimulators_test_suite.results.data_model import biosimulators_test_suite.test_case.published_project -import biosimulators_test_suite.warnings +import biosimulators_test_suite.test_warnings import json import os import shutil @@ -96,8 +96,8 @@ def test_warnings(self): type=biosimulators_test_suite.results.data_model.TestCaseResultType.passed, duration=1., warnings=[ - mock.Mock(message=biosimulators_test_suite.warnings.TestCaseWarning('Warning-1')), - mock.Mock(message=biosimulators_test_suite.warnings.TestCaseWarning('Warning-2')), + mock.Mock(message=biosimulators_test_suite.test_warnings.TestCaseWarning('Warning-1')), + mock.Mock(message=biosimulators_test_suite.test_warnings.TestCaseWarning('Warning-2')), ], ), ] diff --git a/tests/test_exec_core.py b/tests/test_exec_core.py index 2afd567..84611f2 100644 --- a/tests/test_exec_core.py +++ b/tests/test_exec_core.py @@ -4,7 +4,7 @@ from biosimulators_test_suite.results.data_model import TestCaseResult, TestCaseResultType from biosimulators_test_suite.test_case import published_project from biosimulators_test_suite.test_case.docker_image import HasBioContainersLabels -from biosimulators_test_suite.warnings import TestCaseWarning, IgnoredTestCaseWarning +from biosimulators_test_suite.test_warnings import TestCaseWarning, IgnoredTestCaseWarning from unittest import mock import sys import shutil diff --git a/tests/test_exec_gh_action.py b/tests/test_exec_gh_action.py index beab037..d6d4fab 100644 --- a/tests/test_exec_gh_action.py +++ b/tests/test_exec_gh_action.py @@ -3,7 +3,7 @@ from biosimulators_test_suite.config import Config from biosimulators_test_suite.results.data_model import TestCaseResult, TestCaseResultType from biosimulators_test_suite.test_case.published_project import SimulatorCanExecutePublishedProject -from biosimulators_test_suite.warnings import TestCaseWarning +from biosimulators_test_suite.test_warnings import TestCaseWarning from biosimulators_utils.gh_action.data_model import GitHubActionCaughtError from biosimulators_utils.simulator_registry.data_model import SimulatorSubmission, IssueLabel from unittest import mock