Clean up VASP powerups, correct params in MP flows, test for _set_u_params
, test for _set_kspacing
, fix _get_incar
method of VaspInputSet
#2593
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name: testing | |
on: | |
push: | |
branches: [main] | |
tags: ['v*'] | |
pull_request: | |
branches: [main] | |
jobs: | |
lint: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v3 | |
- uses: actions/setup-python@v4 | |
with: | |
python-version: "3.9" | |
cache: pip | |
cache-dependency-path: pyproject.toml | |
- uses: pre-commit/[email protected] | |
test: | |
services: | |
local_mongodb: | |
image: mongo:4.0 | |
ports: | |
- 27017:27017 | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: ["3.9", "3.10", "3.11"] | |
steps: | |
- uses: actions/checkout@v3 | |
- uses: actions/setup-python@v4 | |
with: | |
python-version: ${{ matrix.python-version }} | |
cache: pip | |
cache-dependency-path: pyproject.toml | |
- name: Install dependencies | |
run: | | |
python -m pip install --upgrade pip | |
pip install .[strict,tests] | |
- name: Test | |
env: | |
MP_API_KEY: ${{ secrets.MP_API_KEY }} | |
run: pytest --cov=atomate2 --cov-report=xml | |
- uses: codecov/codecov-action@v1 | |
if: matrix.python-version == '3.10' && github.repository == 'materialsproject/atomate2' | |
with: | |
token: ${{ secrets.CODECOV_TOKEN }} | |
file: ./coverage.xml | |
docs: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v3 | |
- uses: actions/setup-python@v4 | |
with: | |
python-version: "3.10" | |
cache: pip | |
cache-dependency-path: pyproject.toml | |
- name: Install dependencies | |
run: | | |
python -m pip install --upgrade pip | |
pip install .[strict,docs] | |
- name: Build | |
run: sphinx-build docs docs_build | |
automerge: | |
needs: [lint, test, docs] | |
runs-on: ubuntu-latest | |
permissions: | |
pull-requests: write | |
contents: write | |
steps: | |
- uses: fastify/github-action-merge-dependabot@v3 |