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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: Windows
condition: and(succeeded(), ne(variables['Build.SourceBranch'], 'refs/heads/master')) # skip for PR merges
pool:
vmImage: 'VS2017-Win2016'
variables:
MPLBACKEND: agg
strategy:
matrix:
Python37-32bit-full:
PYTHON_VERSION: '3.7'
PYTHON_ARCH: 'x86'
Python37-64bit-full:
PYTHON_VERSION: '3.7'
PYTHON_ARCH: 'x64'
Python38-64bit-full:
PYTHON_VERSION: '3.8'
PYTHON_ARCH: 'x64'
Python39-64bit-full:
PYTHON_VERSION: '3.9'
PYTHON_ARCH: 'x64'
Python310-64bit-full:
PYTHON_VERSION: '3.10'
PYTHON_ARCH: 'x64'
steps:
- task: UsePythonVersion@0
inputs:
versionSpec: $(PYTHON_VERSION)
addToPath: true
architecture: $(PYTHON_ARCH)
- script: python -m pip install --upgrade pip setuptools wheel
displayName: 'Install tools'
- script: >-
python -m pip install --only-binary=h5py
cython
hypothesis
matplotlib
numpy
pytest
pytest-cov
pytest-xdist
scikit-learn
scipy
h5py
tqdm
threadpoolctl
displayName: 'Install dependencies'
# TODO: recent rdkit is not on PyPI
- script: >-
python -m pip install
biopython
chemfiles>=0.9
duecredit
gsd
joblib
GridDataFormats
mmtf-python
networkx
parmed
tidynamics>=1.0.0
displayName: 'Install additional dependencies for 64-bit tests'
condition: and(succeeded(), eq(variables['PYTHON_ARCH'], 'x64'))
- powershell: |
cd package
python setup.py install
cd ..\testsuite
python setup.py install
cd ..
displayName: 'Build MDAnalysis'
- powershell: |
cd testsuite
pytest .\MDAnalysisTests --disable-pytest-warnings -n 2 -rsx --cov=MDAnalysis
displayName: 'Run MDAnalysis Test Suite'
- script: |
curl -s https://codecov.io/bash | bash
condition: succeeded()
displayName: 'Codecov Coverage Data Upload'
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