.travis.yml

# Recipe for build and integration testing on Travis-CI

# Try beta version of new travis-yml checker
version: "= 0"
# For extra debugging of failed jobs, see
# https://docs.travis-ci.com/user/common-build-problems/#Troubleshooting-Locally-in-a-Docker-Image

os: linux
language: cpp
sudo: false

# Different compiler or env are supposed to trigger different caches, but I had a hard time diagnosing problems
# in gromacs-gmxapi until I specified a separate ccache for each matrix build element.
# Note the heuristics for whether cache is shared or distinct:
# https://docs.travis-ci.com/user/caching/#Caches-and-build-matrices
cache:
  pip: true
  directories:
    # Note: if a cache store forks due to a stage with parallel jobs that Travis identifies as part of the same flow,
    # we must make sure that the parallel jobs do not write to any of the same caches. Also note that all stages use the
    # same cache, so early stage jobs may see caches from later stages from previous builds in the same branch.
    - $HOME/.ccache_gromacs
    - $HOME/.ccache_py

compiler: gcc

env:
# Python 2.7 and 3.6 are the only generations provided by pyenv on Travis-CI out-of-the-box
  - CI_MPI=0 GCC=5 PY=2.7
  - CI_MPI=0 GCC=7 PY=3.6
  - CI_MPI=1 GCC=7 PY=2.7
  - CI_MPI=1 GCC=5 PY=3.6

addons:
  apt:
    sources:
    - ubuntu-toolchain-r-test
    packages:
    - doxygen
    - g++-5
    - gcc-5
    - g++-7
    - gcc-7
    - libblas-dev
    - libcr-dev
    - libfftw3-dev
    - liblapack-dev
    - libxml2-dev

# Set up for all jobs
before_install:
  - export CCACHE_COMPILERCHECK=content
  - export CCACHE_DIR=$HOME/.ccache_gromacs
  # Install mpich for the current compiler
  - export MPICH_DIR=$HOME/mpich-install
  - ./ci_scripts/install_mpich.sh
  - export PATH=$MPICH_DIR/bin:$PATH
  # Select the Python version from latest minor releases known to pyenv on Travis-CI
  - pyenv whence python${PY} && export PY_VER=`pyenv whence python${PY} | tail -1`
  - pyenv shell $PY_VER && pyenv shell
  - pyenv prefix ${PY_VER} && export PYTHON_PREFIX=`pyenv prefix ${PY_VER}`
  - pyenv which python && export PYTHON=`pyenv which python`
  - source ./ci_scripts/set_compilers

install:
  - export CCACHE_DIR=$HOME/.ccache_gromacs
  - ccache -s
  - ./ci_scripts/install_gromacs.sh

before_script:
  - export CCACHE_DIR=$HOME/.ccache_py
  - ccache -s
  - pip install --upgrade pip setuptools
  - pip install --upgrade packaging scikit-build
  - pip install --no-cache-dir --upgrade --no-binary ":all:" --force-reinstall networkx mpi4py MarkupSafe
  - pip install pytest numpy networkx sphinx sphinx_rtd_theme

script:
  # Note that as of gromacs-gmxapi 0.0.6, gmxapi ensemble management is not compatible with MPI-enabled gromacs-gmxapi
  - |
    if [ "${CI_MPI}" = 0 ] ; then
      source $HOME/install/gromacs/bin/GMXRC &&
      ./ci_scripts/pygmx_0_0_7.sh &&
      ./ci_scripts/sample_restraint.sh release-0_0_7
    fi
  - |
    if [ "${TRAVIS_BRANCH}" != master -a "${CI_MPI}" = 0 ]; then
      source $HOME/install/gromacs/bin/GMXRC &&
      ./ci_scripts/pygmx_devel.sh &&
      ./ci_scripts/sample_restraint.sh devel
    fi

# At some point, we should test more types of interactions between components, such as both static and dynamically
# linked builds, and components built with different compilers.
#
# Reference https://docs.travis-ci.com/user/customizing-the-build/#The-Build-Lifecycle