language: cpp
cache: ccache

sudo: false

addons:
  apt:
    packages:
      - ccache
      - gfortran
      - openmpi-bin
      - libopenmpi-dev
      - libfftw3-dev
      - libjpeg-dev
      - libpng12-dev
      - python-dev
      - libblas-dev
      - liblapack-dev
      - libhdf5-serial-dev
      - hdf5-tools

notifications:
  email:
    recipients:
      - akohlmey@gmail.com
    on_successs: change
    on_failure: always

compiler:
  - gcc
  - clang

env:
  - MACH=shlib LMPFLAGS="-sf off" LMP_INC="-I../../src/STUBS -DFFT_KISSFFT -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG" JPG_LIB="-L../../src/STUBS/ -lmpi_stubs -ljpeg -lpng -lz"
  - MACH=serial LMPFLAGS="-sf off" LMP_INC="-I../../src/STUBS -DFFT_KISSFFT -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG" JPG_LIB="-L../../src/STUBS/ -lmpi_stubs -ljpeg -lpng -lz"
  - MACH=mpi MPICMD="mpirun -np 2" LMPFLAGS="-pk omp 1 -sf omp " LMP_INC="-DFFT_FFTW3 -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_SMALLBIG" JPG_LIB="-lfftw3 -ljpeg -lpng -lz"
  - MACH=mpi MPICMD="mpirun -np 2" LMPFLAGS="-sf off" LMP_INC="-DFFT_KISSFFT -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_SMALLSMALL" JPG_LIB="-ljpeg -lpng -lz"
  - MACH=mpi MPICMD="mpirun -np 1" LMPFLAGS="-pk omp 4 -sf omp" LMP_INC="-DFFT_FFTW3 -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_BIGBIG" JPG_LIB="-lfftw3 -ljpeg -lpng -lz"

install:
  - export OMPI_CC="ccache $CC"
  - export OMPI_CXX="ccache $CXX"
  - test "$MACH" = "mpi" && export COMP="mpicxx -fopenmp" || export COMP="ccache $CXX"
  - test "$CC" = "clang" && export CCACHE_CPP2=yes || true

script:
  - ccache -z
  - ccache -M 5G
  - make -C src clean-all
  - make -C src yes-all
  - make -C src no-lib
  - make -C src yes-user-smd yes-user-molfile yes-compress yes-python
  - make -C lib/colvars -f Makefile.g++ CXX="${COMP}"
  - make -C lib/poems -f Makefile.g++ CXX="${COMP}"
  - make -C lib/voronoi -f Makefile.g++ CXX="${COMP}"
  - make -C lib/awpmd -f Makefile.mpicc CC="${COMP}"
  - make -C lib/meam -f Makefile.gfortran CC=gcc F90=gfortran
  - make -C src yes-poems yes-voronoi yes-user-colvars yes-user-awpmd yes-meam
  - make -C lib/h5md
  - make -C src yes-user-h5md
  - test "$MACH" = mpi && make -C src yes-mpiio yes-user-lb || true
  - test "$MACH" = shlib || make -C src test-${MACH} MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}"
  - if [ "$MACH" = shlib ] ; then  make -C src mode=shlib serial MACH=serial MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}" && make -C test python MACH=serial MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}" || exit 1 ; fi
  - if [ "$MACH" != shlib ] ; then make -C src mode=lib ${MACH} MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}" && make -C test couple MACH="${MACH}" MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}" || exit 1 ; fi
  - ccache -s