Commit 133832c1 authored by Richard Zamora's avatar Richard Zamora

[ci skip] Merge branch 'exaalt'

parents 9bce2b03 a38be365
variables:
GIT_SUBMODULE_STRATEGY: recursive
test:default:
image: ubuntu:latest
before_script:
# Install Linux Packages:
- apt-get update
- hostname
- env
- apt-get --yes --force-yes install gfortran libblas-dev liblapack-dev
- apt-get --yes --force-yes install cmake python gcc cmake-data g++ git wget
- apt-get --yes --force-yes install pkg-config python-numpy python3-numpy libopenmpi-dev
# Build LAMMPS:
- cd lammps/lib/latte
- cp Makefile.lammps.gfortran.dev Makefile.lammps
- cd /builds/exaalt/exaalt/lammps/src/
- make yes-MANYBODY
- make yes-kspace
- make yes-latte
- make yes-molecule
- make -j2 mpi
# Compile the latte lib
- cd; cd LATTE; cp ./makefiles/makefile.CHOICES.gfort.lapack.lmp makefile.CHOICES; make; cd
# Compile lammps with latte
- cd lammps/lib/latte; cp Makefile.lammps.gfortran.dev Makefile.lammps; cd ;
- cd lammps/src/ ; make yes-latte ; make yes-molecule ; make serial; cd;
# Test lammps-latte
- cd LATTE ; make test_lmp
- cd /builds/exaalt/exaalt/latte/
- cp
script:
## Test Simple LAMMPS Example:
#- cd /builds/exaalt/exaalt/lammps/examples/melt/
#- ../../src/lmp_mpi -in in.melt
# Test LAMMPS-LATTE Example:
- cd /builds/exaalt/exaalt/lammps/examples/latte/
- ../../src/lmp_mpi -in in.latte.water
# before_script:
#
# # Install Linux Packages:
# - apt-get update
# - hostname
# - env
# - apt-get --yes --force-yes install gcc gfortran libmpich-dev build-essential
# - apt-get --yes --force-yes install libblas-dev liblapack-dev
# - apt-get --yes --force-yes install cmake python cmake-data g++ git wget
# - apt-get --yes --force-yes install pkg-config python-numpy python3-numpy libopenmpi-dev
#
# # Build LAMMPS:
# - cd lammps/lib/latte
# - cp Makefile.lammps.gfortran.dev Makefile.lammps
# - cd /builds/exaalt/exaalt/lammps/src/
# - make yes-MANYBODY
# - make yes-kspace
# - make yes-latte
# - make yes-molecule
# - make -j2 mpi
#
# script:
#
# ## Test Simple LAMMPS Example:
# #- cd /builds/exaalt/exaalt/lammps/examples/melt/
# #- ../../src/lmp_mpi -in in.melt
#
# # Test LAMMPS-LATTE Example:
# - cd /builds/exaalt/exaalt/lammps/examples/latte/
# - ../../src/lmp_mpi -in in.latte.water
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