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added some thermo entries to lib #1238

added some thermo entries to lib

added some thermo entries to lib #1238

Workflow file for this run

name: CI
on: [push]
jobs:
build-and-test-linux:
runs-on: ubuntu-latest
strategy:
max-parallel: 5
env: # update this if needed to match a pull request on the RMG-database
RMG_PY_BRANCH: main
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v2
- name: Get RMG-Py source code
run: |
cd ..
git clone -b $RMG_PY_BRANCH https://github.com/ReactionMechanismGenerator/RMG-Py.git
cd RMG-Py
git clone -b arkanepy3 https://github.com/mjohnson541/Q2DTor.git external/Q2DTor
- uses: conda-incubator/setup-miniconda@v2
with:
environment-file: ../RMG-Py/environment.yml
python-version: 3.7
activate-environment: rmg_env
- name: Conda info
run: |
conda info
conda list
- name: Install MOPAC
env:
MOPACKEY: ${{ secrets.MOPACKEY }}
timeout-minutes: 1
continue-on-error: true # allowed to fail on pull request from a forked repository
run: |
set +o pipefail
yes 'Yes' | ${CONDA_PREFIX}/bin/mopac "$MOPACKEY"
- name: Compile RMG
run: |
cd ../RMG-Py
make
- name: Trigger RMG-tests
if: ${{ github.event_name == 'push' && github.ref != 'refs/heads/main' && github.ref != 'refs/heads/stable' }} # only push events to branches other than main and stable
env:
GH_TOKEN: ${{ secrets.RMG_DEV_TOKEN }}
run: ./trigger-rmg-tests.sh
- name: Unit tests
run: |
cd ../RMG-Py
make test-unittests
- name: Functional tests
if: ${{ success() || failure() }} # Run even if the unit tests failed (but not if they were cancelled)
run: |
cd ../RMG-Py
make test-functional
- name: Database tests
if: ${{ success() || failure() }} # Run even if the functional tests failed (but not if they were cancelled)
run: |
cd ../RMG-Py
make test-database