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Update test.yaml

Update test.yaml #347

Workflow file for this run

---
name: test
# -----------------
# Control variables (GitHub Secrets)
# -----------------
#
# (n/a)
#
# -----------
# Environment (GitHub Environments)
# -----------
#
# Environment (n/a)
on:
- push
jobs:
static-analysis:
runs-on: ubuntu-latest
strategy:
matrix:
python-version:
- "3.10"
- "3.11"
steps:
- name: Checkout
uses: actions/checkout@v4
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Pre-commit check
run: |
pip install --upgrade pip
pip install .[dev]
pre-commit run --all-files
command-execution:
runs-on: ubuntu-latest
strategy:
matrix:
python-version:
- "3.10"
- "3.11"
needs:
- static-analysis
steps:
- name: Checkout
uses: actions/checkout@v4
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Install
run: |
pip install --upgrade pip
pip install .
- name: Test command help
run: |
python -m xchemalign.copier -h
python -m xchemalign.collator -h
python -m xchemalign.aligner -h
- name: Test config_1
run: |
mkdir -p test-data/outputs/upload_1
python -m xchemalign.collator -c test-data/config_1.yaml
python -m xchemalign.aligner -d test-data/outputs/upload_1
- name: Test config_2
run: |
mkdir -p test-data/outputs/upload_2
python -m xchemalign.collator -c test-data/config_2.yaml
python -m xchemalign.aligner -d test-data/outputs/upload_2
- name: Test config_3
run: |
mkdir -p test-data/outputs/upload_3
python -m xchemalign.collator -c test-data/config_3.yaml
python -m xchemalign.aligner -d test-data/outputs/upload_3