.gitlab-ci.yml

variables:
  OMP_NUM_THREADS: 1
  GIT_STRATEGY: clone
  APPLICATION: PuReMD

stages:
  - build
  - test

compile:
  stage: build
  artifacts:
    name: "${CI_JOB_STAGE}_${CI_COMMIT_REF_NAME}"
    paths: 
      - sPuReMD/bin
      - sPuReMD/lib
  before_script:
    - apt-get update -qq && apt-get install -y -qq autoconf automake libtool gcc
  script:
    - echo "[INFO] Building..."
    - autoreconf -ivf && ./configure && make
    - echo "[INFO] Done building"

run:
  stage: test
  dependencies:
    - compile
  script:
    - echo "[INFO] Testing..."
    - sPuReMD/bin/spuremd data/benchmarks/water/water_6540.pdb data/benchmarks/water/ffield.water environ/control_water
    - head -n 2 water_6540_notab_qeq.out && tail -n 2 water_6540_notab_qeq.out
    - echo "[INFO] Done testing"

after_script:
  - echo "[INFO] Complete"