Add mcxtrace-basictest

.github/workflows/mcxtrace-basictest.yml

@@ -0,0 +1,232 @@
+name: mcxtrace-basictest
+on:
+  push:
+
+  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:
+      matrix:
+        include:
+          - { os: ubuntu-20.04,  CC: gcc-10,   CXX: g++-10,     python: '3.8'  }
+          - { os: ubuntu-22.04,  CC: gcc,      CXX: g++,        python: '3.9'  }
+          - { os: ubuntu-latest, CC: gcc,      CXX: g++,        python: '3.10' }
+          - { os: ubuntu-latest, CC: clang,    CXX: clang++,    python: '3.11' }
+          - { os: ubuntu-latest, CC: gcc-12,   CXX: g++-12,     python: '3.11' }
+          - { os: macos-11,      CC: clang,    CXX: clang++,    python: "3.10" }
+          - { os: macos-12,      CC: clang,    CXX: clang++,    python: "3.11" }
+          - { os: macos-13,      CC: clang,    CXX: clang++,    python: "3.11" }
+          - { os: windows-latest,  CC: gcc,    CXX: g++,        python: "3.11" }
+          - { os: windows-2019,    CC: gcc,    CXX: g++,        python: "3.11" }
+
+    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@v4
+      with:
+        python-version: ${{ matrix.python }}
+
+    - name: Setup Bison
+      id: setup-flex-bison
+      run: |
+           if [ "x$(uname)" == "xDarwin" ]; then brew install bison flex; fi
+           if [ "x$(uname | cut -f1 -d_)" == "xMINGW64" ]; then choco install winflexbison3; fi
+
+    - name: Setup OpenMPI
+      id: setup-openmpi
+      run: |
+           if [ "x$(uname)" == "xLinux" ]; then sudo apt -y install libopenmpi-dev; fi
+           if [ "x$(uname)" == "xDarwin" ]; then brew install openmpi; fi
+
+    - name: Setup NeXus
+      id: setup-nexus
+      run: |
+           if [ "x$(uname)" == "xLinux" ]; then sudo apt -y install libnexus-dev; fi
+
+    - 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, we will install the
+           #    keg-only recipes for them later:
+           #bison --version
+           #flex --version
+
+    - name: Configure build and install mcxtrace
+      id: mcxtrace-install
+      run: |
+           if [ "x$(uname)" == "xDarwin" ]; then export SDKROOT=$(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 [ "x$(uname)" == "xDarwin" ]; then export EXTRA_ARGS_FOR_CMAKE="-DBISON_EXECUTABLE=/usr/local/opt/bison/bin/bison -DFLEX_EXECUTABLE=/usr/local/opt/flex/bin/flex"; fi
+           if [ "x$(uname)" == "xLinux" ]; 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 \
+               ${EXTRA_ARGS_FOR_CMAKE}
+           cmake --build . --config Release
+           cmake --build . --target install --config Release
+           export MCXTRACE_EXECUTABLE="mcxtrace"
+           export MXRUN_EXECUTABLE="mxrun"
+           if [ "x$(uname | cut -f1 -d_)" == "xMINGW64" ];
+           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"
+
+    - name: Pip install various
+      id: pip-install
+      run: |
+           set -e
+           set -u
+           set -x
+           python3 -mpip install PyYAML ply McStasscript xraylib
+
+    - name: Launch basic test instrument
+      id: JJ_SAXS-tests
+      # Status: Works on Windows + Unixes
+      run: |
+           set -e
+           set -u
+           set -x
+           export MCXTRACE_EXECUTABLE="mcxtrace"
+           export MCXTRACE_PYGEN_EXECUTABLE="mcxtrace-pygen"
+           export MXRUN_EXECUTABLE="mxrun"
+           if [ "x$(uname | cut -f1 -d_)" == "xMINGW64" ];
+           then
+             export MCXTRACE_EXECUTABLE="mcxtrace.exe"
+             export MCXTRACE_PYGEN_EXECUTABLE="mcxtrace-pygen.exe"
+             export MXRUN_EXECUTABLE="mxrun.bat"
+           fi
+           test -f ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}
+           ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE} --version
+           mkdir run_JJ_SAXS && cd run_JJ_SAXS
+           cp ../install_mcxtrace/share/mcxtrace/resources/examples/JJ_SAXS.instr .
+           #Not a final solution!!!:
+           if [ "x$(uname)" == "xDarwin" ]; then export MCXTRACE_CC_OVERRIDE=/usr/bin/clang; fi
+           ../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
+           if [ "x$(uname | cut -f1 -d_)" != "xMINGW64" ];
+           then
+             ../install_mcxtrace/bin/${MXRUN_EXECUTABLE} -c --mpi=2 JJ_SAXS.instr pin2_pos=0.2 pin3_pos=0.4 optic_L=0.1 sample_pos=0.2 detector_pos=2
+            fi
+
+    - name: Launch MCPL test instrument
+      id: mcpl-test
+      # 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/:${PWD}/install_mcxtrace/mcxtrace/3.99.99/bin/
+           if [ "x$(uname | cut -f1 -d_)" == "xMINGW64" ];
+           then
+             export MCXTRACE_EXECUTABLE="mcxtrace.exe"
+             export MXRUN_EXECUTABLE="mxrun.bat"
+           fi
+           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/Test_MCPL_input.instr .
+           #Not a final solution!!!:
+           if [ "x$(uname)" == "xDarwin" ]; then export MCXTRACE_CC_OVERRIDE=/usr/bin/clang; fi
+           if [ "x$(uname | cut -f1 -d_)" != "xMINGW64" ];
+           then
+            ../install_mcxtrace/bin/${MXRUN_EXECUTABLE} Test_MCPL_input.instr repeat=10
+            ../install_mcxtrace/bin/${MXRUN_EXECUTABLE} -c --mpi=2 Test_MCPL_input.instr repeat=20
+            fi
+
+    - name: Launch Fluorescence test instrument
+      id: xraylib-test
+      run: |
+           set -e
+           set -u
+           set -x
+           export MCXTRACE_EXECUTABLE="mcxtrace"
+           export MXRUN_EXECUTABLE="mxrun"
+           export PATH=${PATH}:${PWD}/install_mcxtrace/bin/:${PWD}/install_mcxtrace/mcxtrace/3.99.99/bin/
+           if [ "x$(uname | cut -f1 -d_)" == "xMINGW64" ];
+           then
+             export MCXTRACE_EXECUTABLE="mcxtrace.exe"
+             export MXRUN_EXECUTABLE="mxrun.bat"
+           fi
+           test -f ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE}
+           ./install_mcxtrace/bin/${MCXTRACE_EXECUTABLE} --version
+           mkdir run_Test_Fluorescence && cd run_Test_Fluorescence
+           cp ../install_mcxtrace/share/mcxtrace/resources/examples/Test_Fluorescence.instr .
+           #Not a final solution!!!:
+           if [ "x$(uname)" == "xDarwin" ]; then export MCXTRACE_CC_OVERRIDE=/usr/bin/clang; fi
+           if [ "x$(uname | cut -f1 -d_)" != "xMINGW64" ];
+           then
+            ../install_mcxtrace/bin/${MXRUN_EXECUTABLE} Test_Fluorescence.instr material=LaB6
+            ../install_mcxtrace/bin/${MXRUN_EXECUTABLE} -c --mpi=2 Test_Fluorescence.instr material=LaB6
+           fi
+
+    - name: 'Tar output files'
+      id: tar-package
+      run: |
+           set -e
+           set -u
+           set -x
+           export TESTOS=`uname | cut -f1 -d_` && export TESTREL=`uname -r` && tar cvfz mcxtrace-${TESTOS}_${TESTREL}_output.tgz run_*
+
+    - name: 'Upload Artifact'
+      id: tar-upload
+      uses: actions/upload-artifact@v3
+      with:
+        name: my-artifact
+        path: "*_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