.gitlab-ci.yml

variables:
  OMP_NUM_THREADS: 1
  GIT_STRATEGY: clone
  APPLICATION: PuReMD

before_script:
  - echo "[INFO] Starting..."

stages:
  - build
  - test

compile:
  stage: build
  artifacts:
    name: "${CI_BUILD_NAME}_${CI_BUILD_REF_NAME}"
    untrack: true
    expire_in: 1 week
  script:
    - ./configure && make

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
    - echo "[INFO] Done testing"

after_script:
  - echo "[INFO] Complete"