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lammps/.travis.yml
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.travis.yml
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language: cpp
notifications:
email:
recipients:
- akohlmey@gmail.com
on_successs: change
on_failure: always
compiler:
- gcc
- clang
before_install:
- sudo apt-get update -qq
- sudo apt-get install -y gfortran mpi-default-bin mpi-default-dev libfftw3-dev libjpeg-dev libpng12-dev python-dev libblas-dev liblapack-dev libhdf5-serial-dev hdf5-tools
env:
- MACH=serial LMPFLAGS="-sf off" LMP_INC="-DFFT_KISSFFT -DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG" JPG_LIB="-ljpeg -lpng -lz"
- MACH=mpi MPICMD="mpirun -np 2" LMPFLAGS="-pk omp 2 -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 4" LMPFLAGS="-pk omp 1 -sf omp" 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=$CC
- export OMPI_CXX=$CXX
- test "$MACH" = "mpi" && export COMP="mpicxx -fopenmp" || export COMP="$CXX"
script:
- 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 "$MACH" = mpi && make -C src yes-mpiio yes-user-lb || true
- make -C src test-${MACH} MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}"
- if [ "$MACH" = serial ] ; then make -C src mode=shlib ${MACH} MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}" && make -C test python MACH="${MACH}" MPICMD="${MPICMD}" CC="${COMP}" LINK="${COMP}" LMP_INC="${LMP_INC}" JPG_LIB="${JPG_LIB}" TAG="${TAG}-$CC" LMPFLAGS="${LMPFLAGS}" || exit 1 ; fi
- 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}"
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