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mcxtrace-basictest.yml
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name: mcxtrace-basictest
on:
push:
pull_request:
schedule:
- cron: '55 23 * * 0' # 23:55 every Sunday
workflow_dispatch:
inputs:
manual-debugging:
type: boolean
description: Launch manual debugging tmate for inspection (automatic in case of errors)
default: false
jobs:
build:
strategy:
fail-fast: false
matrix:
include:
- { os: ubuntu-24.04, CC: gcc-13, CXX: g++-13, python: '3.12' }
- { os: ubuntu-24.04, CC: clang, CXX: clang++, python: '3.12' }
- { os: ubuntu-22.04, CC: clang, CXX: clang++, python: '3.11' }
- { os: ubuntu-22.04, CC: gcc-12, CXX: g++-12, python: '3.11' }
- { os: macos-13, CC: clang, CXX: clang++, python: "3.11" }
- { os: macos-14, CC: clang, CXX: clang++, python: "3.12" }
- { os: macos-15, CC: clang, CXX: clang++, python: "3.13" }
- { os: windows-latest, CC: gcc, CXX: g++, python: "3.12" }
name: ${{ matrix.os }}.${{ matrix.CC }}.python-${{ matrix.python }}
runs-on: ${{ matrix.os }}
env:
CC: ${{ matrix.CC }}
CXX: ${{ matrix.CXX }}
defaults:
run:
shell: bash -el {0}
steps:
- name: Checkout
uses: actions/checkout@v4
with:
path: src
- name: Setup python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python }}
- name: Setup Bison (macOS)
id: setup-flex-bison-macos
if: runner.os == 'macOS'
run: |
brew install bison flex
- name: Setup Bison (Windows)
id: setup-flex-bison-Windows
if: runner.os == 'Windows'
run: |
choco install winflexbison3
pip install mslex
- name: Setup OpenMPI (Linux)
id: setup-openmpi-linux
if: runner.os == 'Linux'
run: |
sudo apt -y install libopenmpi-dev
- name: Setup OpenMPI (macOS)
id: setup-openmpi-macos12
if: runner.os == 'macOS'
run: |
brew install openmpi
- name: Check versions
id: version-checks
run: |
which python3
python3 --version
which cmake
cmake --version
#NB: bison and flex in path are actually too old, on mac we
#inject these via a brew keg later
- name: Configure build and install mcxtrace
id: mcxtrace-install
run: |
if [ "$RUNNER_OS" == "macOS" ]; then export SDKROOT=$(xcrun --sdk macosx --show-sdk-path); fi
set -e
set -u
set -x
mkdir build_mcxtrace
cd build_mcxtrace
export EXTRA_ARGS_FOR_CMAKE=""
if [ "$RUNNER_OS" == "macOS" ] && [ -f "/opt/homebrew/opt/flex/bin/flex" ]; then export HOMEBRW="/opt/homebrew/opt"; fi
if [ "$RUNNER_OS" == "macOS" ] && [ -f "/usr/local/opt/flex/bin/flex" ]; then export HOMEBRW="/usr/local/opt"; fi
if [ "$RUNNER_OS" == "macOS" ]; then export EXTRA_ARGS_FOR_CMAKE="-DBISON_EXECUTABLE=${HOMEBRW}/bison/bin/bison -DFLEX_EXECUTABLE=${HOMEBRW}/flex/bin/flex"; fi
if [ "$RUNNER_OS" == "Linux" ]; then export EXTRA_ARGS_FOR_CMAKE="-DNEXUSLIB=/usr/lib -DNEXUSINCLUDE=/usr/include/nexus"; fi
cmake \
-DCMAKE_INSTALL_PREFIX=../install_mcxtrace \
-S ../src \
-G "Unix Makefiles" \
-DMCVERSION="3.99.99" \
-DMCCODE_BUILD_CONDA_PKG=ON \
-DBUILD_SHARED_LIBS=ON \
-DCMAKE_INSTALL_LIBDIR=lib \
-DCMAKE_BUILD_TYPE=Release \
-DBUILD_MCXTRACE=ON \
-DMCCODE_USE_LEGACY_DESTINATIONS=OFF \
-DBUILD_TOOLS=ON \
-DENABLE_COMPONENTS=ON \
-DENSURE_MCPL=ON \
-DENSURE_NCRYSTAL=OFF \
-DENABLE_CIF2HKL=OFF \
${EXTRA_ARGS_FOR_CMAKE}
cmake --build . --config Release
cmake --build . --target install --config Release
export MCXTRACE_EXECUTABLE="mcxtrace"
export MXRUN_EXECUTABLE="mxrun"
if [ "$RUNNER_OS" == "Windows" ];
then
export MCXTRACE_EXECUTABLE="mcxtrace.exe"
export MXRUN_EXECUTABLE="mxrun.bat"
fi
test -f "../install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}"
test -f "../install_mcxtrace/bin/${MXRUN_EXECUTABLE}"
test -f "../install_mcxtrace/share/mcxtrace/tools/Python/mccodelib/__init__.py"
test -d "../install_mcxtrace/share/mcxtrace/resources/data"
echo *******************************************************************************
echo Resulting mccode_config.json:
echo *******************************************************************************
cat ../install_mcxtrace/share/mcxtrace/tools/Python/mccodelib/mccode_config.json
echo *******************************************************************************
- name: Pip install various
id: pip-install
run: |
set -e
set -u
set -x
if [ "$RUNNER_OS" != "macOS" ];
then
python3 -mpip install PyYAML ply McStasscript
fi
if [ "$RUNNER_OS" == "macOS" ];
then
python3 -mpip install PyYAML ply McStasScript --break-system-packages
fi
- name: Launch JJ_SAXS instrument
id: JJ_SAXS-basic
# Status: Works on all systems
run: |
set -e
set -u
set -x
export MCXTRACE_EXECUTABLE="mcxtrace"
export MCXTRACE_PYGEN_EXECUTABLE="mcxtrace-pygen"
export MXRUN_EXECUTABLE="mxrun"
if [ "$RUNNER_OS" == "Windows" ];
then
export MCXTRACE_EXECUTABLE="mcxtrace.exe"
export MCXTRACE_PYGEN_EXECUTABLE="mcxtrace-pygen.exe"
export MXRUN_EXECUTABLE="mxrun.bat"
fi
test -f ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}
./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE} --version
mkdir run_JJ_SAXS && cd run_JJ_SAXS
cp ../install_mcxtrace/share/mcxtrace/resources/examples/SAXSLAB/JJ_SAXS/JJ_SAXS.instr .
../install_mcxtrace/bin/${MXRUN_EXECUTABLE} JJ_SAXS.instr pin2_pos=0.2 pin3_pos=0.4 optic_L=0.1 sample_pos=0.2 detector_pos=2
../install_mcxtrace/bin/${MCXTRACE_PYGEN_EXECUTABLE} JJ_SAXS.instr
- name: Launch JJ_SAXS instrument (MPI)
id: JJ_SAXS-mpi
if: runner.os == 'Linux' || (runner.os == 'macOS' && matrix.os != 'macos-11') # Linux or macos-12/13 only
run: |
set -e
set -u
set -x
export MCXTRACE_EXECUTABLE="mcxtrace"
export MCXTRACE_PYGEN_EXECUTABLE="mcxtrace-pygen"
export MXRUN_EXECUTABLE="mxrun"
test -f ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}
./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE} --version
mkdir run_JJ_SAXS_mpi && cd run_JJ_SAXS_mpi
cp ../install_mcxtrace/share/mcxtrace/resources/examples/SAXSLAB/JJ_SAXS/JJ_SAXS.instr .
../install_mcxtrace/bin/${MXRUN_EXECUTABLE} --mpi=2 JJ_SAXS.instr pin2_pos=0.2 pin3_pos=0.4 optic_L=0.1 sample_pos=0.2 detector_pos=2
- name: Launch MCPL test instrument
id: mcpl-test
if: runner.os == 'Linux' || runner.os == 'macOS' # Linux or macOS only
# Status: Works on Unixes ("wrapper batches missing for Windows")
run: |
set -e
set -u
set -x
export MCXTRACE_EXECUTABLE="mcxtrace"
export MXRUN_EXECUTABLE="mxrun"
export PATH=${PATH}:${PWD}/install_mcxtrace/bin/:${PWD}/install_mcxtrace/mcxtrace/3.99.99/bin/
test -f ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}
./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE} --version
mkdir run_Test_MCPL_input && cd run_Test_MCPL_input
cp ../install_mcxtrace/share/mcxtrace/resources/examples/Tests/Test_MCPL_input/Test_MCPL_input.instr .
../install_mcxtrace/bin/${MXRUN_EXECUTABLE} Test_MCPL_input.instr repeat=10
- name: Launch MCPL test instrument (MPI)
id: mcpl-test-mpi
if: runner.os == 'Linux' || (runner.os == 'macOS' && matrix.os != 'macos-11') # Linux or macos-12/13 only
# Status: Works on Unixes ("wrapper batches missing for Windows")
run: |
set -e
set -u
set -x
export MCXTRACE_EXECUTABLE="mcxtrace"
export MXRUN_EXECUTABLE="mxrun"
export PATH=${PATH}:${PWD}/install_mcxtrace/bin/:${PWD}/install_mcxtrace/mcxtrace/3.99.99/bin/
test -f ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}
./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE} --version
mkdir run_Test_MCPL_input_mpi && cd run_Test_MCPL_input_mpi
cp ../install_mcxtrace/share/mcxtrace/resources/examples/Tests/Test_MCPL_input/Test_MCPL_input.instr .
../install_mcxtrace/bin/${MXRUN_EXECUTABLE} --mpi=2 Test_MCPL_input.instr repeat=20
- name: 'Tar output files'
id: tar-package
if: always()
run: |
set -e
set -u
set -x
tar cvfz mcxtrace-${{ matrix.os }}.${{ matrix.CC }}.python-${{ matrix.python }}_output.tgz run_*
- name: 'Upload Artifact'
id: tar-upload
uses: actions/upload-artifact@v4
if: always()
with:
name: mcxtrace-artefacts-${{ matrix.os }}.${{ matrix.CC }}.python-${{ matrix.python }}
path: "mcxtrace-${{ matrix.os }}.${{ matrix.CC }}.python-${{ matrix.python }}_output.tgz"
- name: Setup tmate session for manual debugging
uses: mxschmitt/action-tmate@v3
if: always() && (inputs.manual-debugging == true && steps.tar-package.outcome != 'success')
with:
limit-access-to-actor: true