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willendwillend
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Merge branch 'main' into imbibe_HALOupdates
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‎.clang-format‎

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BasedOnStyle: GNU
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IndentWidth: 2
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UseTab: Never
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BreakBeforeBraces: Attach
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ColumnLimit: 160
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DerivePointerAlignment: false
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PointerAlignment: Left
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IndentPPDirectives: BeforeHash

‎.github/ISSUE_TEMPLATE/bug_report.md‎

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---
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name: Bug report
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about: Create a report to help us improve
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title: '[BUG]: (please fill in...)'
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labels: ''
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assignees: ''
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---
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**Describe the bug**
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A clear and concise description of what the bug is.
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**Document steps to reproduce the bug**
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Steps to reproduce the behavior:
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1. Go to '...'
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2. Click on '....'
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3. Scroll down to '....'
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4. See error
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**Expected behavior**
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A clear and concise description of what you expected to happen.
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**Screenshots**
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If applicable, add screenshots to help explain your problem.
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**OS and McStas/McXtrace version (please complete the following information):**
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- OS: [e.g. Linux]
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- McCode variant [i.e. McStas, McXtrace]
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- Version [e.g. 3.6.5]
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**Add your code / dataset**
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If applicable:
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- Please provide a zip-archive of instrument plus any local components, datafiles, …
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- Please provide all settings used (e.g. input parameters, mpi parallelisation level, …)
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- Please provide a zip-archive of your dataset
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**Additional context**
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Add any other context about the problem here.

‎.github/ISSUE_TEMPLATE/feature_request.md‎

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---
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name: Feature request
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about: Suggest an idea for McStas / McXtrace
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title: "[FEATURE]: (please fill in...)"
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labels: ''
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assignees: ''
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---
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**Is your feature request related to a problem? Please describe.**
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A clear and concise description of what the problem is. Ex. I'm always frustrated when […].
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**Describe the solution you'd like**
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A clear and concise description of what you want to happen instead of what happens today.
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**Describe alternatives you've considered**
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A clear and concise description of any alternative solutions or features you've considered.
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**Additional context**
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Add any other context or screenshots about the feature request here.

‎.github/ISSUE_TEMPLATE/security.md‎

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---
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name: Security concern
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about: Create a report to help us improve
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title: '[SECURITY]: (please fill in...)'
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labels: ''
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assignees: ''
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---
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**Describe your security concern**
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A clear and concise description of worry.
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**Document steps to reproduce**
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Steps to reproduce the behavior:
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1. Go to '...'
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2. Click on '....'
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3. Scroll down to '....'
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4. See error
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**Expected behavior**
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A clear and concise description of what you expected to happen.
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**Screenshots**
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If applicable, add screenshots to help explain your problem.
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**OS and McStas/McXtrace version (please complete the following information):**
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- OS: [e.g. Linux]
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- McCode variant [i.e. McStas, McXtrace]
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- Version [e.g. 3.6.5]
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**Additional context**
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Add any other context about the problem here.

‎.github/workflows/mcstas-autobuild.yml‎

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steps:
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- name: Checkout
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uses: actions/checkout@v5
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uses: actions/checkout@v6
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with:
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path: McCode
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- name: Setup python
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uses: actions/setup-python@v5
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uses: actions/setup-python@v6
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with:
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python-version: ${{ matrix.python }}
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- name: 'Upload Artifact'
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id: tar-upload
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uses: actions/upload-artifact@v4
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uses: actions/upload-artifact@v6
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if: always()
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with:
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name: mcstas-artefacts-${{ matrix.os }}

‎.github/workflows/mcstas-basictest.yml‎

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include:
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- { os: ubuntu-24.04, CC: gcc-13, CXX: g++-13, python: '3.12', mpi: 'openmpi' }
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- { os: ubuntu-24.04, CC: clang, CXX: clang++, python: '3.12', mpi: 'openmpi' }
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- { os: windows-11-arm, CC: cl.exe, CXX: cl.exe, python: "3.13", mpi: 'msmpi' }
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#- { os: windows-11-arm, CC: cl.exe, CXX: cl.exe, python: "3.13", mpi: 'msmpi' }
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- { os: windows-latest, CC: gcc.exe, CXX: g++.exe, python: "3.13", mpi: 'msmpi' }
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name: ${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}
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steps:
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- name: Checkout
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uses: actions/checkout@v5
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uses: actions/checkout@v6
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with:
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path: src
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fetch-depth: 2
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- name: Setup python
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uses: actions/setup-python@v5
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uses: actions/setup-python@v6
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with:
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python-version: ${{ matrix.python }}
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choco install winflexbison3
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choco install wget
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if [ "$CC" == "gcc.exe" ]; then choco install mingw; fi
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pip install mslex PyYAML ply ncrystal mcpl mcpl-extra
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pip install mslex PyYAML ply ncrystal mcpl mcpl-extra psutil
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- name: Setup (Windows Intel)
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id: setup-Windows-intel
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set -x
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if [ "$RUNNER_OS" == "macOS" ];
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then
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python3 -mpip install PyYAML pyaml ply McStasScript ncrystal mcpl mcpl-extra jinja2 --break-system-packages
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python3 -mpip install PyYAML pyaml ply McStasScript ncrystal mcpl mcpl-extra jinja2 psutil --break-system-packages
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fi
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if [ "$RUNNER_OS" == "Linux" ];
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then
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python3 -mpip install PyYAML ply McStasscript ncrystal mcpl mcpl-extra jinja2
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python3 -mpip install PyYAML ply McStasscript ncrystal mcpl mcpl-extra jinja2 psutil
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fi
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# Start of Unix tests
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- name: 'Upload Artifact'
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id: tar-upload
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uses: actions/upload-artifact@v4
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uses: actions/upload-artifact@v6
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if: always()
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with:
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name: mcstas-artefacts-${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}

‎.github/workflows/mcstas-conda-basictest.yml‎

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if: runner.os == 'Windows'
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uses: ilammy/msvc-dev-cmd@v1
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- uses: conda-incubator/setup-miniconda@v3
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- uses: conda-incubator/setup-miniconda@v3.3.0
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with:
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activate-environment: mcstas
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auto-update-conda: true
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conda-remove-defaults: true
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channels: conda-forge
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python-version: ${{ matrix.python }}
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- name: Setup conda
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id: setup-conda
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- name: Get conda dependency list
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id: conda-deps
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run: |
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./src/devel/bin/mccode-create-conda-yml -m mcstas -n mcstas -o dependencies.yml
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conda env update --file dependencies.yml
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echo DONE
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cat dependencies.yml
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- name: Update conda
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id: update-conda
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run: |
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conda install mamba -y
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mamba env update --file dependencies.yml
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- name: Check versions
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id: version-checks
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- name: 'Upload Artifact'
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id: tar-upload
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uses: actions/upload-artifact@v4
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uses: actions/upload-artifact@v6
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if: always()
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with:
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name: mcstas-artefacts-${{ matrix.os }}.${{ matrix.mpi }}.python-${{ matrix.python }}

‎.github/workflows/mcstas-conda-testsuite.yml‎

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if: runner.os == 'Windows'
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uses: ilammy/msvc-dev-cmd@v1
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- uses: conda-incubator/setup-miniconda@v3
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- uses: conda-incubator/setup-miniconda@v3.3.0
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with:
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activate-environment: mcstas
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auto-update-conda: true
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conda-remove-defaults: true
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channels: conda-forge
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python-version: ${{ matrix.python }}
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- name: Setup conda
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id: setup-conda
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- name: Get conda dependency list
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id: conda-deps
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run: |
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./src/devel/bin/mccode-create-conda-yml -m mcstas -n mcstas -o dependencies.yml
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conda env update --file dependencies.yml
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echo DONE
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cat dependencies.yml
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- name: Update conda
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id: update-conda
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run: |
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conda install mamba -y
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mamba env update --file dependencies.yml
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- name: Check versions
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id: version-checks
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- name: 'Upload Artifact'
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id: tar-upload
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uses: actions/upload-artifact@v4
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uses: actions/upload-artifact@v6
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if: always()
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with:
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name: mcstas-artefacts-${{ matrix.os }}.${{ matrix.mpi }}.python-${{ matrix.python }}

‎.github/workflows/mcxtrace-autobuild.yml‎

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steps:
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- name: Checkout
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uses: actions/checkout@v5
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uses: actions/checkout@v6
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with:
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path: McCode
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- name: Setup python
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uses: actions/setup-python@v5
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uses: actions/setup-python@v6
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with:
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python-version: ${{ matrix.python }}
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- name: 'Upload Artifact'
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id: tar-upload
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uses: actions/upload-artifact@v4
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uses: actions/upload-artifact@v6
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if: always()
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with:
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name: mcxtrace-artefacts-${{ matrix.os }}

‎.github/workflows/mcxtrace-basictest.yml‎

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include:
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- { os: ubuntu-24.04, CC: gcc-13, CXX: g++-13, python: '3.12', mpi: 'openmpi' }
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- { os: ubuntu-24.04, CC: clang, CXX: clang++, python: '3.12', mpi: 'openmpi' }
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- { os: windows-11-arm, CC: cl.exe, CXX: cl.exe, python: "3.13", mpi: 'msmpi' }
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#- { os: windows-11-arm, CC: cl.exe, CXX: cl.exe, python: "3.13", mpi: 'msmpi' }
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- { os: windows-latest, CC: gcc.exe, CXX: g++.exe, python: "3.13", mpi: 'msmpi' }
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name: ${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}
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steps:
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- name: Checkout
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uses: actions/checkout@v5
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uses: actions/checkout@v6
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with:
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path: src
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fetch-depth: 2
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- name: Setup python
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uses: actions/setup-python@v5
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uses: actions/setup-python@v6
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with:
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python-version: ${{ matrix.python }}
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choco install winflexbison3
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choco install wget
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if [ "$CC" == "gcc.exe" ]; then choco install mingw; fi
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pip install mslex PyYAML ply mcpl mcpl-extra
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pip install mslex PyYAML ply mcpl mcpl-extra psutil
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- name: Setup (Windows Intel)
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id: setup-Windows-intel
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set -x
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if [ "$RUNNER_OS" == "macOS" ];
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then
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python3 -mpip install PyYAML pyaml ply McStasScript mcpl mcpl-extra jinja2 --break-system-packages
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python3 -mpip install PyYAML pyaml ply McStasScript mcpl mcpl-extra jinja2 psutil --break-system-packages
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fi
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if [ "$RUNNER_OS" == "Linux" ];
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then
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python3 -mpip install PyYAML ply McStasscript mcpl mcpl-extra jinja2
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python3 -mpip install PyYAML ply McStasscript mcpl mcpl-extra jinja2 psutil
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fi
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# Start of Unix tests
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- name: 'Upload Artifact'
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id: tar-upload
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uses: actions/upload-artifact@v4
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uses: actions/upload-artifact@v6
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if: always()
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with:
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name: mcxtrace-artefacts-${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}

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