.travis.yml

# Recipe for build and integration testing on Travis-CI

# See article on Validating .travis.yml files:
# https://support.travis-ci.com/hc/en-us/articles/115002904174-Validating-travis-yml-files
# For extra debugging of failed jobs, see
# https://docs.travis-ci.com/user/common-build-problems/#Troubleshooting-Locally-in-a-Docker-Image

dist: bionic
language: cpp

# 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_gmxapi
# Allows us to build and install GROMACS in one CI stage, then use the installation in a subsequent stage
#    - $HOME/install

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 PY=3.6
  - CI_MPI=0 PY=3.7
  - CI_MPI=0 PY=3.8

addons:
  apt:
    packages:
    - doxygen
    - libblas-dev
    - libcr-dev
    - libfftw3-dev
    - liblapack-dev
    - libmpich-dev
    - libxml2-dev
    - mpich

# Set up for all jobs
before_install:
  - source ./ci_scripts/set_compilers
  - export CCACHE_DIR=$HOME/.ccache_gmxapi
  - source ./ci_scripts/set_python
  # Ref https://riptutorial.com/cmake/example/4723/configure-travis-ci-with-newest-cmake
  # first we create a directory for the CMake binaries
  - DEPS_DIR="${TRAVIS_BUILD_DIR}/deps"
  - mkdir ${DEPS_DIR} && cd ${DEPS_DIR}
  # we use wget to fetch the cmake binaries
  - travis_retry wget --no-check-certificate https://github.com/Kitware/CMake/releases/download/v3.17.1/cmake-3.17.1-Linux-x86_64.tar.gz
  # this is optional, but useful:
  # do a quick checksum to ensure that the archive we downloaded did not get compromised
  - echo "23dd30da0bacf0e644d82298907b8e03edbc59c4ed40839afdeeb3b86e66bc93  cmake-3.17.1-Linux-x86_64.tar.gz" > cmake_sha256.txt
  - sha256sum -c cmake_sha256.txt
  # extract the binaries; the output here is quite lengthy,
  # so we swallow it to not clutter up the travis console
  - tar -xvf cmake-3.17.1-Linux-x86_64.tar.gz > /dev/null
  - mv cmake-3.17.1-Linux-x86_64 cmake-install
  # add both the top-level directory and the bin directory from the archive
  # to the system PATH. By adding it to the front of the path we hide the
  # preinstalled CMake with our own.
  - PATH=${DEPS_DIR}/cmake-install:${DEPS_DIR}/cmake-install/bin:$PATH
  # don't forget to switch back to the main build directory once you are done
  - cd ${TRAVIS_BUILD_DIR}

install:
  - export CCACHE_DIR=$HOME/.ccache_gmxapi
  - ccache -s
  - ./ci_scripts/install_gromacs_2020.sh

before_script:
  - export CCACHE_DIR=$HOME/.ccache_gmxapi
  - ccache -s
  - ./ci_scripts/prepare_python.sh

script:
  - source $HOME/install/gromacs_2020/bin/GMXRC && ./ci_scripts/test_installers.sh
  - source $HOME/install/gromacs_2020/bin/GMXRC && ./ci_scripts/pygmx.sh
  - source $HOME/install/gromacs_2020/bin/GMXRC && ./ci_scripts/sample_restraint.sh