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Version 1.07.2

Version 1.07.2 #523

Workflow file for this run

name: InChI Continuous Integration
on:
push:
branches: [ main, rwth ]
pull_request:
branches: [ main, rwth ]
workflow_dispatch:
jobs:
test_glibc_gcc:
runs-on: ubuntu-latest
container: gcc:14
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: '3.12'
- name: Install test dependencies
run: |
python -m pip install --upgrade pip
python -m pip install -e INCHI-1-TEST[invariance-tests]
- uses: ./.github/actions/compile_inchi_exe
id: compile_exe
- name: Run executable tests
if: ${{ !cancelled() && steps.compile_exe.outcome == 'success' }}
run: pytest INCHI-1-TEST/tests/test_executable
- uses: ./.github/actions/compile_inchi_lib
id: compile_lib
- name: Run multithreading test
if: ${{ !cancelled() && steps.compile_lib.outcome == 'success' }}
run: python INCHI-1-TEST/tests/test_library/test_multithreading.py
timeout-minutes: 1
- uses: ./.github/actions/regression_tests
if: ${{ !cancelled() && steps.compile_lib.outcome == 'success' }}
with:
artifact-name: regression-test-results_glibc_gcc
- uses: ./.github/actions/invariance_tests
if: ${{ !cancelled() && steps.compile_lib.outcome == 'success' }}
with:
artifact-name: invariance-test-results_glibc_gcc
test_musl_gcc:
runs-on: ubuntu-latest
# We need Python 3.12. That's why we're using alpine:edge.
# Currently (May 2024) edge is the only Alpine version with Python 3.12.
# Once edge advances, the Alpine Python version will be bumped and `python -m pip install -e INCHI-1-TEST` will break.
# TODO: Find more sustainable solution.
container: alpine:edge
steps:
- name: Install build and test environment
run: |
apk add bash git musl-dev gcc g++ make python3 py-pip
# We need to install git before checking out the repository.
# Otherwise, the repository will be downloaded using the GitHub REST API instead of git.
- uses: actions/checkout@v4
- name: Show Python version
run: |
python --version
- name: Configure pip to break system packages
run: |
mkdir -p ~/.config/pip
cat <<EOT >> ~/.config/pip/pip.conf
[global]
break-system-packages = true
EOT
- name: Install test dependencies
run: |
python -m pip install --upgrade pip
python -m pip install -e INCHI-1-TEST
- uses: ./.github/actions/compile_inchi_exe
id: compile_exe
- name: Run executable tests
if: ${{ !cancelled() && steps.compile_exe.outcome == 'success' }}
run: pytest INCHI-1-TEST/tests/test_executable
- uses: ./.github/actions/compile_inchi_lib
id: compile_lib
- name: Run multithreading test
if: ${{ !cancelled() && steps.compile_lib.outcome == 'success' }}
run: python INCHI-1-TEST/tests/test_library/test_multithreading.py
timeout-minutes: 1
- uses: ./.github/actions/regression_tests
if: ${{ !cancelled() && steps.compile_lib.outcome == 'success' }}
with:
artifact-name: regression-test-results_musl_gcc
# FIXME: We don't run invariance test on alpine yet because of difficulties with RDKit installation.