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Merge pull request #32 from molssi-seamm/conda-forge
Internal Release for conda-forge build
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name: BranchCI | ||
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on: | ||
push: | ||
branches-ignore: | ||
- 'main' | ||
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jobs: | ||
light-ci: | ||
name: Lint ubuntu-latest Py3.8 | ||
runs-on: ubuntu-latest | ||
steps: | ||
- uses: actions/checkout@v1 | ||
- name: Additional info about the build | ||
shell: bash | ||
run: | | ||
uname -a | ||
df -h | ||
ulimit -a | ||
# More info on options: https://github.com/conda-incubator/setup-miniconda | ||
- uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
python-version: 3.8 | ||
environment-file: devtools/conda-envs/test_env.yaml | ||
activate-environment: test | ||
auto-update-conda: false | ||
auto-activate-base: false | ||
show-channel-urls: true | ||
- name: Install package | ||
# conda setup requires this special shell | ||
shell: bash -l {0} | ||
run: | | ||
python -m pip install . --no-deps | ||
conda list | ||
- name: Run linters | ||
shell: bash -l {0} | ||
run: | | ||
black --check --diff seamm_ff_util tests | ||
flake8 seamm_ff_util tests | ||
- name: Run tests | ||
shell: bash -l {0} | ||
run: | | ||
pytest -v --cov=seamm_ff_util --cov-report=xml --color=yes tests/ | ||
- name: CodeCov | ||
uses: codecov/codecov-action@v1 | ||
with: | ||
file: ./coverage.xml | ||
flags: unittests | ||
name: codecov-ubuntu-latest-py3.8 | ||
|
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name: Release | ||
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on: | ||
release: | ||
types: [published] | ||
branches: | ||
- "main" | ||
|
||
jobs: | ||
lint: | ||
name: Lint ubuntu-latest Py3.8 | ||
runs-on: ubuntu-latest | ||
steps: | ||
- uses: actions/checkout@v1 | ||
- name: Additional info about the build | ||
shell: bash | ||
run: | | ||
uname -a | ||
df -h | ||
ulimit -a | ||
# More info on options: https://github.com/conda-incubator/setup-miniconda | ||
- uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
python-version: 3.8 | ||
environment-file: devtools/conda-envs/test_env.yaml | ||
activate-environment: test | ||
auto-update-conda: false | ||
auto-activate-base: false | ||
show-channel-urls: true | ||
- name: Install package | ||
# conda setup requires this special shell | ||
shell: bash -l {0} | ||
run: | | ||
python -m pip install . --no-deps | ||
conda list | ||
- name: Run linters | ||
shell: bash -l {0} | ||
run: | | ||
black --check --diff seamm_ff_util tests | ||
flake8 seamm_ff_util tests | ||
test: | ||
name: Test ${{ matrix.os }} Py${{ matrix.python-version }} | ||
runs-on: ${{ matrix.os }} | ||
needs: lint | ||
strategy: | ||
matrix: | ||
os: [macOS-latest, ubuntu-latest, windows-latest] | ||
python-version: [3.7, 3.8] | ||
steps: | ||
- uses: actions/checkout@v1 | ||
- name: Additional info about the build | ||
shell: bash | ||
run: | | ||
uname -a | ||
df -h | ||
ulimit -a | ||
- uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
python-version: ${{ matrix.python-version }} | ||
environment-file: devtools/conda-envs/test_env.yaml | ||
activate-environment: test | ||
auto-update-conda: false | ||
auto-activate-base: false | ||
show-channel-urls: true | ||
- name: Install package | ||
shell: bash -l {0} | ||
run: | | ||
python -m pip install . --no-deps | ||
conda list | ||
- name: Run tests | ||
shell: bash -l {0} | ||
run: | | ||
pytest -v --cov=seamm_ff_util --cov-report=xml --color=yes tests/ | ||
- name: CodeCov | ||
uses: codecov/codecov-action@v1 | ||
with: | ||
file: ./coverage.xml | ||
flags: unittests | ||
name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | ||
|
||
deploy: | ||
name: PyPi ubuntu-latest Py3.8 | ||
# Run only for tagged releases publishing development or release candidates | ||
# only to test.pypi, otherwise to both it and the main pypi. | ||
if: github.event_name == 'release' && startsWith(github.ref, 'refs/tags') | ||
runs-on: ubuntu-latest | ||
needs: [lint, test] | ||
steps: | ||
- uses: actions/checkout@v1 | ||
- name: Set up Python 3.8 | ||
uses: actions/setup-python@v1 | ||
with: | ||
python-version: 3.8 | ||
- name: Install package | ||
shell: bash -l {0} | ||
run: | | ||
python -m pip install . --no-deps | ||
conda list | ||
- name: Install pypa/build | ||
run: | | ||
python -m pip install build --user | ||
- name: Build a binary wheel and a source tarball | ||
run: | | ||
python -m build --sdist --wheel --outdir dist/ | ||
ls -l dist/ | ||
- name: Publish distribution 📦 to Test PyPI | ||
uses: pypa/gh-action-pypi-publish@master | ||
with: | ||
password: ${{ secrets.test_pypi_password }} | ||
repository_url: https://test.pypi.org/legacy/ | ||
skip_existing: true | ||
- name: Publish distribution 📦 to PyPI | ||
if: contains(github.ref, 'dev') == false && contains(github.ref, 'rc') == false | ||
uses: pypa/gh-action-pypi-publish@master | ||
with: | ||
password: ${{ secrets.pypi_password }} |
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