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Mol opt

Mol opt #185

Workflow file for this run

name: Run integration tests
on:
pull_request:
branches:
- main
types:
- opened
- synchronize
jobs:
test:
name: Test
runs-on: ubuntu-latest
defaults:
run:
shell: bash -el {0}
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 5
- name: Set up Python
uses: actions/setup-python@v2
with:
python-version: '3.10'
# - name: Remove flash-attn dependency
# run: |
# sed -i '/flash-attn/d' environment.yml
# - name: Remove conda-pack dependency
# run: |
# sed -i '/conda-pack/d' environment.yml
# - name: Remove chemlactica dependency
# run: |
# sed -i '/chemlactica/d' environment.yml
- name: Set up Conda
uses: conda-incubator/setup-miniconda@v2
with:
environment-file: test_environment.yml
activate-environment: testenv
auto-update-conda: true
- name: Install local chemlactica package within Conda environment
run: |
pip install . # Install dependencies within the Conda environment
- name: Run unit tests
run: |
python3 confirm_tests.py --run unit
- name: list commits on PR
run: |
response=$(curl --request GET \
--url 'https://api.github.com/repos/${{ github.repository }}/pulls/${{ github.event.pull_request.number }}/commits' \
--header 'Authorization: token ${{ secrets.GITHUB_TOKEN }}' \
--header 'Accept: application/vnd.github.v3+json' \
--header 'Content-Type: application/json')
echo "$response" > response.json
- name: get second last commit
run: |
echo "Get length of the array:"
length=$(jq 'length' response.json)
echo "Get index of the second last commit:"
index=$(($length - 2))
latest_commit=$(jq --argjson index $index '.[$index]' response.json)
echo "Get commit SHA of the latest commit:"
COMMIT_HASH=$(echo "$latest_commit" | jq -r '.sha')
echo "$COMMIT_HASH"
- name: read integration test status
run: |
echo "getting test status"
TEST_STATUS=$(cat test_status.yaml | grep "${COMMIT_HASH}" | cut -d ' ' -f 2|| echo "NOT FOUND")
echo "$TEST_STATUS"
- name: check test status
run: |
if [ ! $TEST_STATUS=="PASS" ]; then
echo "error: The test_status.yaml file indicates a failure for the second-to-last commit or incorrect commit tested"
exit 1
fi