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[FEATURE] Updates to MDAnalysis v2.0.0 and CI
Merge pull request #58 * Upgrades to MDAv2.0.0 * Defines version for all other dependencies * Upgrades CI
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name: test_docs | ||
name: docs | ||
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on: | ||
push: | ||
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name: install-dev | ||
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on: | ||
push: | ||
branches: [master] | ||
pull_request: | ||
branches: [master] | ||
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jobs: | ||
build: | ||
runs-on: ${{ matrix.platform }} | ||
strategy: | ||
matrix: | ||
platform: [ubuntu-latest] | ||
python-version: [3.6, 3.7, 3.8, 3.9] | ||
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steps: | ||
- uses: actions/checkout@v2 | ||
- name: Set up Python ${{ matrix.python-version }} | ||
uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
activate-environment: taurenmddev | ||
environment-file: requirements-dev.yml | ||
python-version: ${{ matrix.python-version }} | ||
channels: conda-forge | ||
auto-activate-base: false | ||
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- shell: bash -l {0} | ||
run: | | ||
conda info | ||
conda list | ||
# - name: Install dependencies | ||
# run: | | ||
# conda env update -n taurenmddev --file requirements-dev.yml | ||
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- name: Test versions | ||
shell: bash -l {0} | ||
run: | | ||
python -c "from mdtraj import version; print('mdtraj version: ', version.version)" | ||
python -c "from openmm import version; print('openmm version: ', version.version)" | ||
python -c "from MDAnalysis import version; print('MDAnalysis version: ', version.__version__)" |
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name: install | ||
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on: | ||
push: | ||
branches: [master] | ||
pull_request: | ||
branches: [master] | ||
|
||
jobs: | ||
build: | ||
runs-on: ${{ matrix.platform }} | ||
strategy: | ||
matrix: | ||
platform: [ubuntu-latest] | ||
python-version: [3.6, 3.7, 3.8, 3.9] | ||
|
||
steps: | ||
- uses: actions/checkout@v2 | ||
- name: Set up Python ${{ matrix.python-version }} | ||
uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
activate-environment: taurenmd | ||
environment-file: requirements.yml | ||
python-version: ${{ matrix.python-version }} | ||
channels: conda-forge | ||
auto-activate-base: false | ||
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||
- shell: bash -l {0} | ||
run: | | ||
conda info | ||
conda list | ||
- name: Test versions | ||
shell: bash -l {0} | ||
run: | | ||
python -c "from mdtraj import version; print('mdtraj version: ', version.version)" | ||
python -c "from openmm import version; print('openmm version: ', version.version)" | ||
python -c "from MDAnalysis import version; print('MDAnalysis version: ', version.__version__)" |
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@@ -1,4 +1,4 @@ | ||
name: test_py36 | ||
name: pytest_py36 | ||
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on: | ||
push: | ||
|
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@@ -1,4 +1,4 @@ | ||
name: test_py37 | ||
name: pytest_py37 | ||
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on: | ||
push: | ||
|
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name: pytest_py38 | ||
|
||
on: | ||
push: | ||
branches: [master] | ||
pull_request: | ||
branches: [master] | ||
|
||
jobs: | ||
build: | ||
runs-on: ubuntu-latest | ||
defaults: | ||
run: | ||
shell: bash -l {0} | ||
steps: | ||
- uses: actions/checkout@v2 | ||
- uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
activate-environment: test | ||
python-version: 3.8 | ||
channels: conda-forge | ||
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||
- name: Install dependencies | ||
run: | | ||
conda install pip setuptools wheel tox coverage[toml] | ||
- name: Test with tox | ||
run: tox -e py38 | ||
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# from https://github.com/codecov/codecov-action | ||
- name: Upload coverage to Codecov | ||
uses: codecov/codecov-action@v1 | ||
with: | ||
files: ./coverage.xml | ||
fail_ci_if_error: true | ||
verbose: true |
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,36 @@ | ||
name: pytest_py39 | ||
|
||
on: | ||
push: | ||
branches: [master] | ||
pull_request: | ||
branches: [master] | ||
|
||
jobs: | ||
build: | ||
runs-on: ubuntu-latest | ||
defaults: | ||
run: | ||
shell: bash -l {0} | ||
steps: | ||
- uses: actions/checkout@v2 | ||
- uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
activate-environment: test | ||
python-version: 3.9 | ||
channels: conda-forge | ||
|
||
- name: Install dependencies | ||
run: | | ||
conda install pip setuptools wheel tox coverage[toml] | ||
- name: Test with tox | ||
run: tox -e py39 | ||
|
||
# from https://github.com/codecov/codecov-action | ||
- name: Upload coverage to Codecov | ||
uses: codecov/codecov-action@v1 | ||
with: | ||
files: ./coverage.xml | ||
fail_ci_if_error: true | ||
verbose: true |
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