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|
trigger:
# start a new build for every push
batch: False
branches:
include:
- develop
paths:
include:
- '*'
pr:
branches:
include:
- '*' # must quote since "*" is a YAML reserved character; we want a string
jobs:
- job: Azure_Tests
condition: and(succeeded(), ne(variables['Build.SourceBranch'], 'refs/heads/develop')) # skip for PR merges
variables:
MPLBACKEND: agg
strategy:
matrix:
Win-Python310-64bit-full:
PYTHON_VERSION: '3.10'
PYTHON_ARCH: 'x64'
BUILD_TYPE: 'normal'
imageName: 'windows-2019'
Win-Python312-64bit-full:
PYTHON_VERSION: '3.12'
PYTHON_ARCH: 'x64'
BUILD_TYPE: 'normal'
imageName: 'windows-2019'
Win-Python312-64bit-full-wheel:
PYTHON_VERSION: '3.12'
PYTHON_ARCH: 'x64'
BUILD_TYPE: 'wheel'
NUMPY_MIN: '1.26.0'
imageName: 'windows-2019'
Win-Python310-64bit-full-wheel:
PYTHON_VERSION: '3.10'
PYTHON_ARCH: 'x64'
BUILD_TYPE: 'wheel'
NUMPY_MIN: '1.23.2'
imageName: 'windows-2019'
Linux-Python312-64bit-full-wheel:
PYTHON_VERSION: '3.12'
PYTHON_ARCH: 'x64'
BUILD_TYPE: 'wheel'
NUMPY_MIN: '2.1.0'
imageName: 'ubuntu-latest'
Linux-Python310-64bit-full-wheel:
PYTHON_VERSION: '3.10'
PYTHON_ARCH: 'x64'
BUILD_TYPE: 'wheel'
NUMPY_MIN: '1.23.2'
imageName: 'ubuntu-latest'
pool:
vmImage: $(imageName)
steps:
- task: UsePythonVersion@0
inputs:
versionSpec: $(PYTHON_VERSION)
addToPath: true
architecture: $(PYTHON_ARCH)
# a PEP518 compliant wheel build shoud be
# able to build MDAnalysis in an isolated
# environment *before* any deps are installed
# "manually"
- powershell: |
cd package
python -m pip -v install .
cd ..
displayName: 'Build MDAnalysis (wheel)'
condition: and(succeeded(), eq(variables['BUILD_TYPE'], 'wheel'))
- script: python -m pip install --upgrade pip setuptools wheel
displayName: 'Install tools'
- script: >-
python -m pip install --only-binary=scipy,h5py
cython
hypothesis
h5py>=2.10
matplotlib
numpy
packaging
pytest
pytest-cov
pytest-timeout
pytest-xdist
scikit-learn
tqdm
threadpoolctl
filelock
displayName: 'Install dependencies'
# for wheel install testing, we pin to an
# older NumPy, the oldest version we support and that
# supports the Python version in use
# to check the ABI compatibility of our wheels
- script: >-
python -m pip install numpy==$(NUMPY_MIN)
displayName: 'pin to older NumPy (wheel test)'
condition: and(succeeded(), ne(variables['NUMPY_MIN'], ''))
- script: >-
python -m pip install -vvv
biopython
"chemfiles>=0.10,<0.10.4"
duecredit
joblib
GridDataFormats
mmtf-python
networkx
parmed
pytng>=0.2.3
rdkit>=2020.03.1
tidynamics>=1.0.0
# remove from azure to avoid test hanging #4707
# "gsd>3.0.0"
displayName: 'Install additional dependencies for 64-bit tests'
condition: and(succeeded(), eq(variables['PYTHON_ARCH'], 'x64'))
- script: >-
pip list
displayName: 'List of installed dependencies'
- powershell: |
python -m pip install ./package
python -m pip install ./testsuite
displayName: 'Build MDAnalysis'
condition: and(succeeded(), eq(variables['BUILD_TYPE'], 'normal'))
- powershell: pip list
displayName: 'Check installed packages'
- powershell: |
cd testsuite
pytest MDAnalysisTests --disable-pytest-warnings -n logical --timeout=200 -rsx --cov=MDAnalysis
displayName: 'Run MDAnalysis Test Suite'
- script: |
curl -s https://codecov.io/bash | bash
condition: succeeded()
displayName: 'Codecov Coverage Data Upload'
|
