.travis.yml

dist: xenial
language: cpp
sudo: false
before_cache:
  - conda deactivate
  - conda remove --name p4env --all
cache:
  directories:
    - $HOME/miniconda

env:
  global:
    - CTEST_OUTPUT_ON_FAILURE=1

jobs:
  include:
    - stage: Testing
      addons: &1
        apt:
          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='release'
    - addons: &2
        apt:
          packages:
            - python-numpy
            - liblapack-dev
            - libhdf5-serial-dev
            - gfortran
      env:
        - CXX_COMPILER='g++'
        - PYTHON_VER='3.7'
        - C_COMPILER='gcc'
        - Fortran_COMPILER='gfortran'
        - BUILD_TYPE='release'

before_install:
  - uname -a
  - free -m
  - df -h
  - ulimit -a
  - mkdir -p $HOME/miniconda

install:
  - ./.scripts/miniconda.sh
  - export PATH="$HOME/miniconda/bin:$PATH"
  - conda create -q -n p4env python=$PYTHON_VER psi4 --only-deps -c psi4/label/dev
  - source activate p4env
  - >
      conda install
      dftd3
      gcp
      resp
      pylibefp
      snsmp2
      mp2d
      pytest-xdist
      -c psi4/label/dev
      # * even if name package removed later, this installs their deps
  - >
      conda install
      qcelemental
      qcengine
      pybind11
      -c conda-forge
  - conda list

before_script:
  - python -V
  - python -c 'import numpy; print(numpy.version.version)'
  - cd ${TRAVIS_BUILD_DIR}
  - export CXX=${CXX_COMPILER}
  - export CC=${C_COMPILER}
  - export FC=${Fortran_COMPILER}
  - ${CXX_COMPILER} --version
  - ${Fortran_COMPILER} --version
  - ${C_COMPILER} --version
    # * can't use conda dist of the more complicated lib pkgs (e.g., CheMPS2, PCMSolver, v2rdm)
    #   b/c their c++ symbols don't mix with the different Travis compilers. for other
    #   reasons, pkgs are being compiled less statically, sad for CI.
    # * can't enable trivial plugins b/c no psi4 for them to detect at start (e.g., snsmp2)
  - >
      cmake -Bbuild -H.
      -DCMAKE_CXX_COMPILER=${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"
      -DENABLE_CheMPS2=OFF
      -DENABLE_dkh=ON
      -DENABLE_libefp=ON
      -DENABLE_erd=OFF
      -DENABLE_gdma=ON
      -DENABLE_PCMSolver=OFF
      -DENABLE_simint=ON
      -DENABLE_snsmp2=OFF
      -DENABLE_v2rdm_casscf=OFF
      -DENABLE_PLUGIN_TESTING=ON
      -DCMAKE_INSTALL_PREFIX=${TRAVIS_BUILD_DIR}/Install
  - cd build
  - ../.scripts/travis_build.sh

script:
  - ./stage/bin/psi4 ../tests/tu1-h2o-energy/input.dat
  - python ../.scripts/travis_run_test.py
  - python ../.scripts/travis_print_failing.py
  - PYTHONPATH=stage/lib/ pytest -v -rws --durations=15 -n 2 -m 'quick' stage/lib/psi4/tests/

# safelist
branches:
  only:
    - master
    - 1.3.x
    - 1.2.x
    - 1.1.x
    - 1.0.x