.travis.yml

language: cpp
sudo: false
matrix:
  include:
#  - os: linux
#    compiler: gcc
#    addons: &3
#      apt:
#        sources:
#        - ubuntu-toolchain-r-test
#        - george-edison55-precise-backports
#        packages:
#        - python-numpy
#        - cmake
#        - cmake-data
#        - liblapack-dev
#        - libhdf5-serial-dev
#        - g++-4.9
#        - gcc-4.9
#        - gfortran-4.9
#    env:
#      - CXX_COMPILER='g++-4.9'
#      - PYTHON_VER='2.7'
#      - C_COMPILER='gcc-4.9'
#      - Fortran_COMPILER='gfortran-4.9'
#      - BUILD_TYPE='release'
#      - NAME='gcc'
#      - VERSION='4.9'
  - os: linux
    compiler: clang
    addons: &1
      apt:
        sources:
        - llvm-toolchain-precise-3.6
        - ubuntu-toolchain-r-test
        - george-edison55-precise-backports
        packages:
        - liblapack-dev
        - clang-3.6
        - libhdf5-serial-dev
        - gfortran
    env:
      - CXX_COMPILER='clang++-3.6'
      - PYTHON_VER='3.6'
      - C_COMPILER='clang-3.6'
      - Fortran_COMPILER='gfortran'
      - BUILD_TYPE='debug'
      - NAME='clang'
      - VERSION='3.6'

install:
- if [[ "$PYTHON_VER" == "2.7" ]]; then
    wget https://repo.continuum.io/miniconda/Miniconda2-latest-Linux-x86_64.sh -O miniconda.sh;
  else
    wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh;
  fi
- bash miniconda.sh -b -p $HOME/miniconda
- export PATH="$HOME/miniconda/bin:$PATH"
- hash -r
- conda config --set always_yes yes --set changeps1 no
- conda update -q conda
- conda info -a
- conda create -q -n p4env python=$PYTHON_VER numpy cmake gdma libint libxc gau2grid -c psi4/label/test -c psi4
- source activate p4env
#- conda list
- conda install pylibefp -c psi4/label/dev
- python -V
- pyenv global system 3.6
- pip install deepdiff
#- python -c 'import numpy; print(numpy.version.version)'
- cd ${TRAVIS_BUILD_DIR}
- export CXX=${CXX_COMPILER}
- export CC=${C_COMPILER}
- export FC=${Fortran_COMPILER}
- export CTEST_OUTPUT_ON_FAILURE=1
- ${CXX_COMPILER} --version
- ${Fortran_COMPILER} --version
- ${C_COMPILER} --version
# Compile Psi4
- cd ${HOME}/build
- git clone https://github.com/psi4/psi4.git psi4
- cd psi4
- >
    cmake -Bbuild -H.
    -DCMAKE_CXX_COMPILER=${CXX_COMPILER}
    -DCMAKE_C_COMPILER=${C_COMPILER}
    -DCMAKE_BUILD_TYPE=${BUILD_TYPE}
    -DCMAKE_PREFIX_PATH=${HOME}/miniconda/envs/p4env
    -DPYTHON_EXECUTABLE=${HOME}/miniconda/envs/p4env/bin/python
    -DPYTHON_LIBRARY=${HOME}/miniconda/envs/p4env/lib/libpython2.7.dylib
    -DPYTHON_INCLUDE_DIR=${HOME}/miniconda/envs/p4env/include/python2.7
    -DENABLE_gdma=ON
    -DENABLE_PLUGIN_TESTING=ON
    -DCMAKE_INSTALL_PREFIX=${HOME}/build/psi4-bin
- cd build
- make -j2
- make install >& psi4_install.log
- export PATH="$HOME/build/psi4-bin/bin:$PATH"
- hash -r
- which psi4
# Compile ocdft
- cd ${HOME}/build/evangelistalab/ocdft
- OCDFT_CMAKE_COM=$(psi4 --plugin-compile)
- $OCDFT_CMAKE_COM -DCMAKE_BUILD_TYPE=Release
- make -j2
- export PYTHONPATH="${HOME}/build/evangelistalab:$PYTHONPATH"
- hash -r
#script:
#- cd ${HOME}/build/evangelistalab/forte/tests/methods
#- python run_forte_tests_travis.py 
#- cd ${HOME}/build/evangelistalab/forte