.travis.yml

sudo: false
language: generic


install:
  # Install python
  - wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh
  - bash miniconda.sh -b -p $HOME/miniconda
  - export PATH="$HOME/miniconda/bin:$PATH"
  - hash -r
  - conda config --set always_yes yes --set changeps1 no --set auto_update_conda False
  - conda update -q conda
  # Useful for debugging any issues with conda
  - conda info -a

  # Install virtual enviroment
  - conda create --name qmworks python=3.6
  - source activate qmworks
  - conda install -c conda-forge h5py rdkit
  # - conda install h5py==2.8.0
  # - conda install -c rdkit rdkit==2018.03.4.0

  # Install qmflows package
  # - pip install git+https://github.com/SCM-NV/PLAMS.git@master#egg=plams-1.2 --upgrade
  # - python -m pip install --no-cache-dir  git+https://github.com/sunxb05/PyFrag@master#egg=PyFrag-0.0.1
  - pip install .
# script:
#   # Run the unitary tests
#   - pytest  --cov=qmworks test
#   - coverage xml && coverage report -m

branches:
  only:
   - master