.travis.yml

language: c
sudo: false
addons:
  apt:
    sources:
    - ubuntu-toolchain-r-test
    packages:
      - g++
      - gfortran
      - valgrind
      - csh
      - g++-multilib
      - gcc-multilib

branches:
  only:
    - master

before_install:
  # Configure environment.
  - source devtools/travis-ci/install.sh
  - export PYTHONUNBUFFERED=true
  - echo $TRAVIS_SECURE_ENV_VARS
  # Unpack encrypted OpenEye license file
  - if [ "$TRAVIS_SECURE_ENV_VARS" == true ] ; then openssl aes-256-cbc -K $encrypted_751d8ffa39c6_key -iv $encrypted_751d8ffa39c6_iv -in oe_license.txt.enc -out $HOME/oe_license.txt -d; fi
  - if [ "$TRAVIS_SECURE_ENV_VARS" == false ] ; then echo "OpenEye license will not be installed in pull request."; fi

install:

script:
  # Create a test environment
  - conda create --yes -n test python=$python
  # Activate the test environment
  - source activate test
  # Add org channel
  - conda config --add channels ${ORGNAME}
  # Add omnia dev channels
  - conda config --add channels https://conda.anaconda.org/omnia/label/dev
  # Add the conda-forge channel
  - conda config --add channels conda-forge
  # Update everything
  - conda update --quiet --yes --all
  # Install OpenEye toolkit
  - conda install --yes $OPENEYE_CHANNEL openeye-toolkits && python -c "import openeye; print(openeye.__version__)"
  # Build the recipe
  - conda build devtools/conda-recipe
  # Install the package
  - conda install --yes --use-local ${PACKAGENAME}-dev
  # Install testing dependencies
  - conda install --yes --quiet nose nose-timer
  - conda install --yes --quiet openmmtools
  - conda install --yes --quiet packmol
  - conda install --yes --quiet rdkit
  # Test the package
  - cd devtools && nosetests $PACKAGENAME --nocapture --verbosity=2 --with-timer -a '!slow' && cd ..

env:
  matrix:
    # OpenEye production
    - CONDA_PY=35 python=3.5 OPENEYE_CHANNEL="-c openeye"
    - CONDA_PY=36 python=3.6 OPENEYE_CHANNEL="-c openeye"
    # OpenEye beta
    - CONDA_PY=35 python=3.5 OPENEYE_CHANNEL="-c openeye/label/dev"
    - CONDA_PY=36 python=3.6 OPENEYE_CHANNEL="-c openeye/label/dev"

  global:
    - ORGNAME="omnia"
    - PACKAGENAME="openmoltools"
    # Location of decrypted OpenEye license file
    - OE_LICENSE="$HOME/oe_license.txt"
    # The architecture to download for the OpenEye toolkits
    - OE_ARCH="linux-x64"
    # encrypted BINSTAR_TOKEN for push of dev package to binstar
    - secure: "S9I5imZ0CJdwfhHzy+Beh8NTFm2ZYpMFCLgvBYT/UsifIKlGynUK2xGi7bDnHLpslT45FUMmjzdpf2QNrfbivVJgiSDTQJc1GCIqGFFKFqerJEEYUkXlBxvWNO+poSOMIzkJqd7xsTodt4CYhGJM1dT6ocaSM7UJgAErrcRJfLo="

after_success:
  - echo "after_success"
  - source devtools/travis-ci/after_success.sh

notifications:
  email: false