test.yml

name: Test

# Runs the three regression suites.  Separate from build.yml on purpose:
# that workflow answers "does this compile and package on five platforms",
# which is a different question and a different failure mode from "does it
# still behave".
#
# The suites are deliberately tiered by what they need, and the first two
# need remarkably little -- no display, no ECCE services, no install, no
# build at all:
#
#   parsers  real chemistry-code output -> the real eccejobmonitor
#            Begin/Skip/End algorithm -> the real scripts/parsers scripts.
#            python3 + perl.  ~1 min.
#   dialogs  the real scripts/codereg dialogs, run headless under
#            broadwayd (GTK3's displayless backend -- no X server at all),
#            diffed against what each ai.<code> generator recognises.
#            + wxPython.  ~2 min.
#   apps     every installed wx-linked C++ app started on Xvfb with
#            software OpenGL, checked that it opens a window and stays up.
#            Needs a build, an install, and a per-user data server; hence
#            its own job.  ~6 min.
#
# build.yml's header used to say running the GUI apps needed "a lot more
# complexity than a build-and-package health check warrants".  That was a
# fair call when it was written; in practice it came down to `apt install
# xvfb` plus letting the app wrapper start its own services, so the apps
# job below exists now.  The other two never needed any of that.

on:
  push:
    branches: [main]
  pull_request:
    branches: [main]
  workflow_dispatch: {}

# One run per branch.  Without this every push starts a full run and none
# of them cancel the older ones, so a run of quick pushes leaves a dozen
# stale runs competing for the same runners -- which is exactly what
# happened on 2026-09-23: nine pushes in a day, eleven jobs each, and CI
# stopped completing anything for six hours.  A superseded run tells you
# nothing a newer one will not.
concurrency:
  group: ${{ github.workflow }}-${{ github.ref }}
  cancel-in-progress: true

jobs:
  scripts:
    name: Parsers and dialogs (no build, no display)
    runs-on: ubuntu-latest
    # Bounded so a hung job cannot hold a runner slot for GitHub's
    # 6-hour default; see the concurrency note above.
    timeout-minutes: 20
    steps:
      - uses: actions/checkout@v4

      - name: Install dependencies
        run: |
          sudo apt-get update
          # perl: the parser scripts are Perl and are run for real.
          # python3-wxgtk4.0: the codereg dialogs are wxPython and are run
          #   for real.
          # libgtk-3-bin: provides broadwayd, which lets those dialogs run
          #   with no X server at all.
          sudo apt-get install -y perl python3 python3-wxgtk4.0 libgtk-3-bin

      - name: Parser / property pipeline suite
        run: tests/parsers/run_tests.py

      - name: Code-registration dialog suite
        run: tests/dialogs/run_tests.py

      # Added 2026-09-23: this suite existed but was never wired in, so
      # the basis exporters were the one layer CI did not cover -- the
      # layer a silent bug had just been found in twice (Gaussian being
      # sent ECCE's own basis names, and Fortran D exponents read without
      # their exponent).  Needs nothing the other two do not.
      - name: Basis set exporter suite
        run: tests/basis/run_tests.py

      # The input-deck checker: real decks through the real script.  The
      # cases that matter most are the WORKING decks, which must come
      # back clean -- a checker that cries wolf gets ignored, including
      # the time it is right.
      - name: Input checker suite
        run: tests/verify/run_tests.py

      # The orbital and ESP maths.  Deliberately compiles with plain g++
      # against include/ alone -- SlaterExpansion, CoulombIntegrals and
      # EspField have no wx, DAV or XML dependency by design -- so it
      # belongs in this job rather than the one that builds.  The one
      # part that does need the build tree, the importConfig round
      # trip, skips itself with a reason when there is none.
      - name: Orbital and ESP maths suite
        run: tests/slater/run_tests.py

      # Character tables.  Pure data checking, no build: a wrong sign in
      # a hand-entered table would silently misassign an irrep, and the
      # orthogonality theorem catches it for free.
      - name: Character table suite
        run: tests/symmetry/run_tests.py

  e2e:
    name: End-to-end (real code, real monitor, real parsers)
    runs-on: ubuntu-latest
    # Debian, not the runner's Ubuntu, and deliberately.
    #
    # This suite exists to notice when a CODE's behaviour changes, so
    # running it against a different distribution's build of that code
    # reports differences that have nothing to do with ECCE.  It did:
    # Ubuntu's quantum-espresso 6.7 aborts on this deck with a glibc
    # FORTIFY buffer-overflow check inside pw.x, while Debian's build of
    # the same upstream 6.7 runs it fine.  The overflow is latent in QE
    # either way -- Ubuntu's hardening is simply stricter and catches it
    # -- and neither the bug nor the difference is ECCE's.
    #
    # ECCE targets Debian, so this is also the platform whose answers
    # matter.  Only this job moves: the others test our own Python,
    # Perl and C++, where the distribution is not the variable.
    container: debian:trixie
    # Bounded so a hung job cannot hold a runner slot for GitHub's
    # 6-hour default; see the concurrency note above.  Roomier than the
    # script suites because nwchem-openmpi is a large apt install; the
    # jobs themselves are seconds on these molecules.
    timeout-minutes: 30
    steps:
      # BEFORE the checkout, which is not the usual order: a bare Debian
      # image has neither git nor ca-certificates, and actions/checkout
      # needs both.  Nothing here needs the repository.
      #
      # MOPAC is Debian-packaged and runs a small molecule in seconds,
      # which is what makes this tier possible at all.  ORCA and
      # Gaussian cannot be installed here -- one is registration-walled,
      # the other licensed -- so they stay a developer-box tier and the
      # suite skips them by name rather than passing silently.
      #
      # No sudo: a container runs as root, and Debian's image has none.
      - name: Install dependencies
        run: |
          apt-get update
          apt-get install -y --no-install-recommends \
            ca-certificates git perl python3 \
            mopac nwchem nwchem-openmpi \
            quantum-espresso quantum-espresso-data-sssp gromacs

      - uses: actions/checkout@v4

      # Declare what this job installed.  Without this a code whose
      # binary is not where the suite looks simply skips, and the job
      # goes green with that coverage quietly gone -- which is exactly
      # what happened to nwchem on its first run here.
      - name: End-to-end suite
        env:
          ECCE_E2E_REQUIRE: mopac,nwchem,qe,gromacs
        run: tests/e2e/run_tests.py -v

  apps:
    name: GUI apps (build, install, Xvfb)
    runs-on: ubuntu-latest
    # Bounded so a hung job cannot hold a runner slot for GitHub's
    # 6-hour default; see the concurrency note above.
    timeout-minutes: 40
    steps:
      - uses: actions/checkout@v4

      - name: Install build dependencies
        run: |
          sudo apt-get update
          sudo apt-get install -y \
            build-essential gfortran cmake ninja-build \
            libwxgtk3.2-dev libxerces-c-dev libgl-dev libglu1-mesa-dev \
            libgtk-3-dev libx11-dev libice-dev libxt-dev libjpeg-dev \
            libmosquitto-dev mosquitto-dev libaprutil1-dev mosquitto git dpkg-dev libssh-dev \
            python3 libcoin-dev libegl-dev

      - name: Install runtime dependencies
        run: |
          # apache2: the data server is a real per-user Apache instance
          #   (ecce-server depends on it; listed here so it is cached early).
          # xvfb: headless X.  These apps link GLX for the Open Inventor
          #   viewer, so broadwayd (used by the dialogs suite) is not an
          #   option -- it serves no GLX.
          # libgl1-mesa-dri: llvmpipe, the software renderer that actually
          #   answers those GLX calls.  Without it the apps get no GL and
          #   the suite says so on startup.
          # x11-utils: xdpyinfo/xwininfo, used to see whether a window
          #   actually appeared. glxinfo is in mesa-utils, separately.
          # mesa-utils: glxinfo, only to report whether GL is working.
          # python3-wxgtk4.0: pulled in because the installed package's
          #   codereg dialogs need it at runtime.
          sudo apt-get install -y \
            apache2 apache2-utils xvfb libgl1-mesa-dri x11-utils \
            mesa-utils mosquitto python3-wxgtk4.0

      - name: Build
        run: |
          cmake -G Ninja -B build-cmake
          cmake --build build-cmake

      - name: Package and install
        working-directory: build-cmake
        run: |
          cpack -G DEB
          # Two packages since the client/server split (ecce-server depends
          # on ecce-client, so one apt transaction takes both, in order).
          # apt rather than dpkg -i so their dependencies are resolved;
          # no recommends, to keep nwchem and friends out of the runner.
          sudo apt-get install -y --no-install-recommends \
            ./ecce-client_*_amd64.deb ./ecce-server_*_amd64.deb

      # ECCE_APPS_TRACE names each app before it starts.  Without it a
      # wedged suite leaves the last SUCCESSFUL app as the final log
      # line and the culprit has to be inferred from the ordering.
      # The symmetry operation checks, here rather than in the no-build
      # job, because they need the symops binary this job has just
      # built.  Without this they skip everywhere and the 78 checks that
      # tie PNNL's Fortran generator tables to the hand-entered
      # character tables never actually run.
      #
      # Before the GUI suite, not after: it needs no display or
      # services, and a failure of the apps suite should not hide it.
      - name: Symmetry operation suite
        run: tests/symmetry/run_tests.py

      # ECCE_TEST_STATE names the private state directory this run
      # isolates itself into -- see tests/apps/isolate.py: a run no longer
      # touches ~/.ECCE, its ports or its services at all, so it cannot
      # collide with a live session (#136).  Named here rather than left
      # to its default so the log collection below knows where to look.
      - name: GUI application smoke suite
        env:
          ECCE_APPS_TRACE: '1'
          ECCE_TEST_STATE: ${{ runner.temp }}/ecce-state
        run: tests/apps/run_tests.py -v

      - name: Collect service logs on failure
        if: failure()
        run: |
          # These live in the run's own state dir and are the first thing
          # anyone debugging a red run here will want.
          STATE="${{ runner.temp }}/ecce-state/.ECCE"
          for f in "$STATE"/*.log "$STATE"/dataserver/logs/error_log; do
            [ -f "$f" ] && { echo "=== $f"; tail -50 "$f"; }
          done || true