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.travis.yml
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sudo: true
language: python
python: 3.7
cache:
- pip
matrix:
# works on Precise and Trusty
- os: linux
addons:
apt:
sources:
- ubuntu-toolchain-r-test
packages:
- g++-7
env:
- MATRIX_EVAL="CC=gcc-7 && CXX=g++-7"
before_install:
- eval "${MATRIX_EVAL}"
- sudo apt update
- sudo apt install -y quantum-espresso
- pip install codecov pytest pytest-cov pytest_mock
- git clone --depth 1 -b stable https://github.com/lammps/lammps.git lammps
- pwd
- ls
- cp lammps_plugins/pair_mgp.* lammps/src
- cd lammps/src
- make serial CCFLAGS='-std=c++11'
- cd ../..
- "wget https://github.com/cp2k/cp2k/releases/download/\
v7.1.0/cp2k-7.1-Linux-x86_64.sopt"
- chmod u+x cp2k-7.1-Linux-x86_64.sopt
- pip install -r requirements.txt
script:
- pwd
- cd tests
- ls test_files
- PWSCF_COMMAND=pw.x
lmp=$(pwd)/../lammps/src/lmp_serial
CP2K_COMMAND=../cp2k-7.1-Linux-x86_64.sopt
pytest -vv --durations=0 --cov=../flare/
- coverage xml
after_success:
- codecov