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rmgdb-f33a2cd80de111391d9b1ba27a4c681390a97074 #1020

rmgdb-f33a2cd80de111391d9b1ba27a4c681390a97074

rmgdb-f33a2cd80de111391d9b1ba27a4c681390a97074 #1020

Workflow file for this run

# This workflow runs the continuous integration and regression tests for RMG-Py and RMG-database
# TODO cache-ing (lines 38-40 of .travis.yml)
# TODO figure out why the testing was grouped that way, see if there are ways to parallelize
name: CI
# Controls when the workflow will run
on:
# Triggers the workflow on push for branches that start with the following pattern
push:
branches: ['rmgpy-*', 'rmgdb-*', 'rmgpydb-*', 'rmgdbpy-*']
# Allows you to run this workflow manually from the Actions tab
workflow_dispatch:
jobs:
build_and_test:
runs-on: ubuntu-latest
defaults:
run:
shell: bash -l {0}
env:
GH_TOKEN: ${{ secrets.RMG_DEV_TOKEN }}
MOPACKEY: ${{ secrets.MOPACKEY }}
# Steps represent a sequence of tasks that will be executed as part of the job
steps:
# Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it
- uses: actions/checkout@v2
- name: before_install
run: |
chmod +x *.sh
./before_install.sh
./color_define.sh
- name: install
run: |
./install.sh
./version_summary.sh
- name: build
run: ./compile.sh
- name: test # TODO make this part run in parallel
run: |
./run.sh rmg/aromatics no
aromatics_status=$?
./run.sh rmg/nitrogen no
nitrogen_status=$?
./run.sh rmg/sulfur no
sulfur_status=$?
./run.sh rmg/oxidation no
oxidation_status=$?
./run.sh rmg/liquid_oxidation no
liquid_oxidation_status=$?
./run.sh rmg/superminimal no
superminimal_status=$?
./run.sh examples/eg1 no
eg1_status=$?
echo "aromatics status: $aromatics_status"
echo "nitrogen status: $nitrogen_status"
echo "sulfur status: $sulfur_status"
echo "oxidation status: $oxidation_status"
echo "liquid oxidation status: $liquid_oxidation_status"
echo "superminimal status: $superminimal_status"
echo "eg1 status: $eg1_status"
if [ $(($aromatics_status | $nitrogen_status | $sulfur_status | $oxidation_status | $liquid_oxidation_status | $superminimal_status | $eg1_status)) -ne 0 ];
then
echo "Failed regression tests (non-zero exit code from regression test)"
exit 1
fi
- name: finish # TODO check that this works as expected for both success and failure
if: always()
run: |
if [ ${{ job.status }} == 'success' ]; then
./after_success.sh
else
./after_failure.sh
fi