NWChem/.travis.yml

language: c
sudo: required
stages:
  - compile
  - test

cache:
  directories:
    - .cachedir
    
.t1: &compile-template
  script:
    - ./travis/build_env.sh
    - ./travis/config_nwchem.sh; 
    - ./travis/compile_nwchem.sh
.t11: &ompi-template
  before_script:
    - export MPI_IMPL="openmpi"
.t12: &mpich-template
  before_script:
    - export MPI_IMPL="mpich"

.t1o: &compile-template-ompi
  <<: *ompi-template
  <<: *compile-template
.t1m: &compile-template-mpich
  <<: *mpich-template
  <<: *compile-template

.t1osx: &compile-template-ompi-osx
    <<: *compile-template-ompi
    os: osx
    arch: amd64
.t1x86: &compile-template-ompi-x86
    <<: *compile-template-ompi
    os: linux
    arch: amd64
.t1m86: &compile-template-mpich-x86
    <<: *compile-template-mpich
    os: linux
    arch: amd64
.t1arm: &compile-template-mpich-arm
    <<: *compile-template-mpich
    os: linux
    arch: arm64
  
.t2: &qatest-template
  script:
    - ./travis/build_env.sh
    -  source ./travis/nwchem.bashrc
    - ./travis/run_qas.sh

.t2o: &qatest-template-ompi
  <<: *ompi-template
  <<: *qatest-template
.t2m: &qatest-template-mpich
  <<: *mpich-template
  <<: *qatest-template

.t3osx: &qatest-template-ompi-osx
    <<: *qatest-template-ompi
    os: osx
    arch: amd64
.t3x86: &qatest-template-ompi-x86
    <<: *qatest-template-ompi
    os: linux
    arch: amd64
.t3m86: &qatest-template-mpich-x86
    <<: *qatest-template-mpich
    os: linux
    arch: amd64
.t3arm: &qatest-template-mpich-arm
    <<: *qatest-template-mpich
    os: linux
    arch: arm64

jobs:
  include:
    - stage: compile
      <<: *compile-template-ompi-x86
      env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PR
    - stage: compile
      <<: *compile-template-ompi-x86
      env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-PR USE_OPENMP=1
    - stage: compile
      <<: *compile-template-mpich-x86
      env: NWCHEM_MODULES="nwdft solvation driver" ARMCI_NETWORK=MPI-PT USE_SIMINT=1 SIMINT_MAXAM=3
    - stage: compile
      <<: *compile-template-mpich-x86
      env: NWCHEM_MODULES="tinyqmpw python" ARMCI_NETWORK=MPI-PT USE_OPENMP=1
    - stage: compile
      <<: *compile-template-mpich-x86
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=SOCKETS
    - stage: compile
      <<: *compile-template-ompi-osx
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PR USE_OPENMP=1
    - stage: compile
      <<: *compile-template-ompi-osx
      env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS
    - stage: compile
      <<: *compile-template-ompi-osx
      env: NWCHEM_MODULES="nwdft solvation driver" ARMCI_NETWORK=MPI-PT USE_SIMINT=1 SIMINT_MAXAM=3
    - stage: compile
      <<: *compile-template-ompi-osx
      env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PR
    - stage: compile
      <<: *compile-template-mpich-arm
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT
    - stage: compile
      <<: *compile-template-mpich-arm
      env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS
    - stage: test
      <<: *qatest-template-ompi-x86
      env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PR
    - stage: test
      <<: *qatest-template-ompi-x86
      env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-PR USE_OPENMP=1
    - stage: test
      <<: *qatest-template-mpich-x86
      env: NWCHEM_MODULES="nwdft solvation driver" ARMCI_NETWORK=MPI-PT USE_SIMINT=1 SIMINT_MAXAM=3
    - stage: test
      <<: *qatest-template-mpich-x86
      env: NWCHEM_MODULES="tinyqmpw python" ARMCI_NETWORK=MPI-PT USE_OPENMP=1
    - stage: test
      <<: *qatest-template-mpich-x86
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=SOCKETS
    - stage: test
      <<: *qatest-template-ompi-osx
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PR USE_OPENMP=1
    - stage: test
      <<: *qatest-template-ompi-osx
      env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS
    - stage: test
      <<: *qatest-template-ompi-osx
      env: NWCHEM_MODULES="nwdft solvation driver" ARMCI_NETWORK=MPI-PT USE_SIMINT=1 SIMINT_MAXAM=3
    - stage: test
      <<: *qatest-template-ompi-osx
      env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PR
    - stage: test
      <<: *qatest-template-mpich-arm
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT
    - stage: test
      <<: *qatest-template-mpich-arm
      env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS
  exclude:
    - os: osx
      arch: arm64
  allow_failures:
    - os: linux
      arch: arm64
    - os: osx
      arch: amd64
      env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PR
    - os: linux
      arch: amd64
      env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PR
    - os: osx
      arch: amd64
      env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT USE_SIMINT=1 SIMINT_MAXAM=3

compiler:
  - gcc
dist: bionic
osx_image: xcode11.3
git:
  depth: 32


after_failure:
        - ./travis/check_failures.sh