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Enhance the PlasmaPhase to use the cross section data with an example of calculating the elastic collision energy loss rate #5810

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Enhance the PlasmaPhase to use the cross section data with an example of calculating the elastic collision energy loss rate

Enhance the PlasmaPhase to use the cross section data with an example of calculating the elastic collision energy loss rate #5810

Workflow file for this run

.github/workflows/main.yml at 9cd1461
name: CI
on:
push:
# Build on tags that look like releases
tags:
- v*
# Build when main or testing is pushed to
branches:
- main
- testing
pull_request:
# Build when a pull request targets main
branches:
- main
concurrency:
group: ${{ github.workflow }}-${{ github.ref }}
cancel-in-progress: true
jobs:
matlab-test:
name: Run MATLAB Test Script
runs-on: ubuntu-latest
env:
LD_PRELOAD: /usr/lib/x86_64-linux-gnu/libstdc++.so.6
CANTERA_ROOT: /home/runner/work/cantera/cantera
CANTERA_DATA: /home/runner/work/cantera/cantera/data
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: '3.10'
architecture: x64
- name: Install Apt dependencies
run: |
sudo apt update
sudo apt install libboost-dev gfortran libopenmpi-dev libblas-dev \
liblapack-dev libhdf5-dev
gcc --version
- name: Upgrade pip
run: python3 -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: |
python3 -m pip install ruamel.yaml scons==3.1.2
- name: Build Cantera
run: |
python3 `which scons` build env_vars=all -j4 debug=n --debug=time \
cc_flags=-D_GLIBCXX_ASSERTIONS
- name: Set up MATLAB
uses: matlab-actions/setup-matlab@v2
- name: Run tests
uses: matlab-actions/run-tests@v2
with:
select-by-folder: /home/runner/work/cantera/cantera/test/matlab_experimental
ubuntu-multiple-pythons:
name: ${{ matrix.os }} with Python ${{ matrix.python-version }}, Numpy ${{ matrix.numpy || 'latest' }}, Cython ${{ matrix.cython || 'latest' }}
runs-on: ${{ matrix.os }}
timeout-minutes: 60
strategy:
matrix:
python-version: ['3.8', '3.10', '3.11', '3.12', '3.13']
os: ['ubuntu-20.04', 'ubuntu-22.04']
numpy: ['']
cython: ['']
include:
# Keep some test cases with NumPy 1.x until we drop support
- python-version: '3.12'
os: 'ubuntu-24.04'
numpy: "'<2.0'"
# Keep some test cases with older Cython versions
- python-version: '3.10'
os: 'ubuntu-24.04'
cython: "==0.29.31" # minimum supported version
- python-version: '3.11'
os: 'ubuntu-24.04'
cython: "==3.0.8" # System version for Ubuntu 24.04
fail-fast: false
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
architecture: x64
- name: Install Apt dependencies
run: |
sudo apt update
sudo apt install libboost-dev gfortran libopenmpi-dev libblas-dev \
liblapack-dev libhdf5-dev libfmt-dev
gcc --version
- name: Upgrade pip
run: python3 -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: |
python3 -m pip install ruamel.yaml scons==3.1.2 numpy${{ matrix.numpy }} \
cython${{ matrix.cython }} pandas pytest \
pytest-github-actions-annotate-failures pytest-xdist pint graphviz
- name: Build Cantera
run: |
python3 `which scons` build env_vars=all -j4 debug=n --debug=time \
system_fmt=y cc_flags=-D_GLIBCXX_ASSERTIONS
- name: Upload shared library
# Pin to 4.3.4 to resolve errors around only uploading symlinks.
# See https://github.com/actions/upload-artifact/issues/589
uses: actions/[email protected]
if: matrix.python-version == '3.11'
with:
path: build/lib/libcantera_shared.so
name: libcantera_shared-${{ matrix.os }}.so
retention-days: 2
- name: Build Tests
run:
python3 `which scons` -j4 build-tests --debug=time
- name: Run compiled tests
run: python3 `which scons` test-gtest test-legacy --debug=time
- name: Run Python tests
run: |
LD_LIBRARY_PATH=build/lib
python3 -m pytest -raP -v -n auto --durations=50 test/python
- name: Save the wheel file to install Cantera
uses: actions/upload-artifact@v4
with:
path: build/python/dist/Cantera*.whl
retention-days: 2
name: cantera-wheel-${{ matrix.python-version }}-${{ matrix.os }}
if-no-files-found: error
clang-compiler:
name: LLVM/Clang with Python 3.8
runs-on: ubuntu-22.04
timeout-minutes: 60
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.8
architecture: x64
- name: Install Apt dependencies
run: |
sudo apt update
sudo apt install libboost-dev gfortran libomp-dev libomp5 libopenblas-dev libhdf5-dev
- name: Upgrade pip
run: python3 -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: python3 -m pip install ruamel.yaml scons numpy cython pandas pytest
pytest-xdist pytest-github-actions-annotate-failures pint graphviz
- name: Build Cantera
run: python3 `which scons` build env_vars=all
CXX=clang++-14 CC=clang-14 f90_interface=n extra_lib_dirs=/usr/lib/llvm/lib
-j4 debug=n --debug=time logging=debug
warning_flags='-Wall -Werror -Wsuggest-override'
- name: Build Tests
run:
python3 `which scons` -j4 build-tests --debug=time
- name: Run compiled tests
run: python3 `which scons` test-gtest test-legacy --debug=time
- name: Run Python tests
run: |
LD_LIBRARY_PATH=build/lib
python3 -m pytest -raP -v -n auto --durations=50 test/python
macos-multiple-pythons:
name: ${{ matrix.macos-version }} with Python ${{ matrix.python-version }}
runs-on: ${{ matrix.macos-version }}
timeout-minutes: 90
strategy:
matrix:
macos-version: ['macos-13', 'macos-14', 'macos-15']
python-version: ['3.12', '3.13']
include:
- macos-version: 'macos-13'
python-version: '3.8'
- macos-version: 'macos-14'
python-version: '3.10'
extra-build-args: cxx_flags='-std=c++20'
- macos-version: 'macos-15'
python-version: '3.11'
fail-fast: false
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Write dependencies to a file for caching
run: |
echo "scons ruamel.yaml numpy cython pandas pytest pytest-xdist pytest-github-actions-annotate-failures pint graphviz" | tr " " "\n" > requirements.txt
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
cache: pip
cache-dependency-path: requirements.txt
- name: Install Brew dependencies
run: brew install --display-times boost libomp hdf5
- name: Set Include folder
run:
echo "BOOST_INC_DIR=$(brew --prefix)/include" >> $GITHUB_ENV
- name: Upgrade pip
run: python -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: python -m pip install -r requirements.txt
- name: Build Cantera
run: scons build env_vars=all -j3 debug=n --debug=time
boost_inc_dir=${BOOST_INC_DIR} ${{ matrix.extra-build-args }}
- name: Upload shared library
# Pin to 4.3.4 to resolve errors around only uploading symlinks.
# See https://github.com/actions/upload-artifact/issues/589
uses: actions/[email protected]
if: matrix.python-version == '3.12' && matrix.macos-version == 'macos-13'
with:
path: build/lib/libcantera_shared.dylib
name: libcantera_shared.dylib
retention-days: 2
- name: Build Tests
run: scons -j3 build-tests --debug=time
- name: Run compiled tests
run: scons test-gtest test-legacy --debug=time
- name: Run Python tests
run: |
export DYLD_LIBRARY_PATH=build/lib
python3 -m pytest -raP -v -n auto --durations=50 test/python
# Coverage is its own job because macOS builds of the samples
# use Homebrew gfortran which is not compatible for coverage
# with XCode clang. Also, turning off optimization really
# slows down the tests
coverage:
name: Coverage
runs-on: ubuntu-latest
timeout-minutes: 90
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Setup python
uses: actions/setup-python@v5
with:
python-version: '3.11'
architecture: x64
- name: Install Apt dependencies
run: |
sudo apt update
sudo apt install libboost-dev gfortran liblapack-dev libblas-dev libsundials-dev libhdf5-dev
gcc --version
- name: Upgrade pip
run: python3 -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: |
python3 -m pip install ruamel.yaml scons numpy cython pandas scipy pytest \
pytest-github-actions-annotate-failures pytest-cov gcovr!=7.0.0 pint graphviz \
Jinja2
- name: Setup .NET Core SDK
uses: actions/setup-dotnet@v4
with:
dotnet-version: '6.x'
- name: Build Cantera
run: |
python3 `which scons` build blas_lapack_libs=lapack,blas coverage=y \
optimize=n skip_slow_tests=y no_optimize_flags='-DNDEBUG -O0' \
FORTRANFLAGS='-O0' env_vars=all -j4 --debug=time
- name: Build Tests
run: python3 `which scons` -j4 build-tests --debug=time
- name: Run compiled tests
run: python3 `which scons` test-gtest test-legacy --debug=time
- name: Run Python tests
run: python3 `which scons` test-python show_long_tests=yes verbose_tests=yes
- name: Build the .NET interface
run: dotnet build
working-directory: interfaces/dotnet
- name: Test the .NET interface
# Collect coverage info using Coverlet (identified by magic string below)
run: |
dotnet test --collect:"XPlat Code Coverage"
mv Cantera.Tests/TestResults/*/coverage.cobertura.xml .
dotnet new tool-manifest
dotnet tool install --local dotnet-reportgenerator-globaltool
dotnet reportgenerator -reports:"coverage.cobertura.xml" -targetdir:"coveragereport" -reporttypes:Html
working-directory: interfaces/dotnet
- name: Process coverage files
run: |
gcovr --root . --exclude-unreachable-branches --exclude-throw-branches \
--exclude-directories '\.sconf_temp' --exclude-directories 'build/ext$' \
--exclude '.*ext.*' --exclude '(.+/)?_cantera\.cpp$' --exclude '^test.*' \
--xml coverage.xml --html-details htmlcoverage.html --txt
- name: Archive C++ coverage results
uses: actions/upload-artifact@v4
with:
name: cxx-coverage-report
path: htmlcoverage*
retention-days: 5
- name: Archive Python coverage results
uses: actions/upload-artifact@v4
with:
name: python-coverage-report
path: build/python-coverage*
retention-days: 5
- name: Archive .NET coverage results
uses: actions/upload-artifact@v4
with:
name: dotnet-coverage-report
path: interfaces/dotnet/coveragereport*
retention-days: 5
- name: Upload Coverage to Codecov
uses: codecov/codecov-action@v4
with:
verbose: true
token: ${{secrets.CODECOV_TOKEN}}
files: ./coverage.xml,./build/pycov.xml,./interfaces/dotnet/coverage.cobertura.xml
fail_ci_if_error: true
docs:
name: Build docs
runs-on: ubuntu-latest
timeout-minutes: 60
defaults:
run:
shell: bash -l {0}
env:
DEPLOY: ${{ github.event_name == 'push' && github.repository_owner == 'Cantera' && endsWith(github.ref, 'main') }}
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Set up micromamba
uses: mamba-org/setup-micromamba@v1
with:
environment-name: test-env
create-args: >-
python=3.11 doxygen=1.9.7 scons pip scikits.odes
post-cleanup: none
- name: Install Apt dependencies
run: |
sudo apt update
sudo apt install libboost-dev graphviz texlive-bibtex-extra \
libblas-dev liblapack-dev libhdf5-dev libfmt-dev libsundials-dev
- name: Upgrade pip
run: pip install -U pip setuptools wheel
- name: Install Python dependencies
# Pinned sphinx and pydata-sphinx-theme versions are for the Cantera 3.1.x
# series. These versions can be relaxed on main branch afterwards.
run: |
pip install ruamel.yaml scons numpy cython 'sphinx>=7.3.7,<7.4' sphinx-gallery \
sphinxcontrib-matlabdomain sphinxcontrib-doxylink sphinxcontrib-bibtex \
'pydata-sphinx-theme>=0.15.3,<0.16' sphinx-argparse sphinx_design myst-nb \
sphinx-copybutton matplotlib pandas scipy pint coolprop graphviz
pip install "git+https://github.com/Cantera/sphinx-tags.git@main"
- name: Build Cantera
run: scons build -j4 debug=n optimize=y use_pch=n
- name: Build documentation
run: |
scons sphinx doxygen logging=debug \
sphinx_options="-W --keep-going --warning-file=sphinx-warnings.txt"
- name: Show Sphinx warnings
run: |
cat sphinx-warnings.txt
if: failure()
- name: Ensure 'scons help' options work
run: |
scons help --options
scons help --list-options
scons help --option=prefix
- name: Create archive for docs output
run: |
cd build/doc
tar --exclude="*.map" --exclude="*.md5" -czf docs.tar.gz html
if: failure() || success()
- name: Store archive of docs output
uses: actions/upload-artifact@v4
with:
path: build/doc/docs.tar.gz
name: docs
retention-days: 14
if: failure() || success()
# The known_hosts key is generated with `ssh-keygen -F cantera.org` from a
# machine that has previously logged in to cantera.org and trusts
# that it logged in to the right machine
- name: Set up SSH key and host for deploy
if: env.DEPLOY == 'true'
uses: shimataro/ssh-key-action@v2
with:
key: ${{ secrets.CTDEPLOY_KEY }}
known_hosts: ${{ secrets.CTDEPLOY_HOST }}
- name: Upload the docs
if: env.DEPLOY == 'true'
env:
RSYNC_USER: "ctdeploy"
RSYNC_SERVER: "cantera.org"
RSYNC_DEST: "cantera/dev"
DOCS_OUTPUT_DIR: "./build/doc/html/"
run: |
rsync -avzP --checksum --exclude='*.map' --exclude='*.md5' \
--delete --delete-excluded --filter='P .htaccess' \
"${DOCS_OUTPUT_DIR}" ${RSYNC_USER}@${RSYNC_SERVER}:${RSYNC_DEST}
run-examples:
name: Run Python ${{ matrix.python-version }} examples on ${{ matrix.os }}, NumPy ${{ matrix.numpy || 'latest' }}
runs-on: ${{ matrix.os }}
timeout-minutes: 60
needs: ["ubuntu-multiple-pythons"]
strategy:
matrix:
# Keep some test cases with NumPy 1.x until we explicitly drop support
include:
- os: "ubuntu-20.04"
python-version: "3.8"
numpy: ""
- os: "ubuntu-22.04"
python-version: "3.8"
numpy: ""
- os: "ubuntu-20.04"
python-version: "3.10"
numpy: "==1.21.6"
- os: "ubuntu-22.04"
python-version: "3.10"
numpy: ""
- os: "ubuntu-22.04"
python-version: "3.11"
numpy: "==1.23.5"
- os: "ubuntu-20.04"
python-version: "3.11"
numpy: ""
- os: "ubuntu-22.04"
python-version: "3.12"
numpy: "==1.26.4"
- os: "ubuntu-20.04"
python-version: "3.12"
numpy: ""
- os: "ubuntu-22.04"
python-version: "3.13"
numpy: ""
fail-fast: false
steps:
# We're not building Cantera here, we only need the checkout for the samples
# folder, so no need to do a recursive checkout
- uses: actions/checkout@v4
name: Checkout the repository
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
architecture: x64
- name: Install Apt dependencies
run: |
sudo apt update
sudo apt install graphviz libhdf5-103 libfmt-dev
- name: Download the wheel artifact
uses: actions/download-artifact@v4
with:
name: cantera-wheel-${{ matrix.python-version }}-${{ matrix.os }}
path: dist
- name: Download the Cantera shared library (.so)
uses: actions/download-artifact@v4
with:
name: libcantera_shared-${{ matrix.os }}.so
path: build/lib
- name: Upgrade pip
run: python3 -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: |
python3 -m pip install numpy${{ matrix.numpy }} ruamel.yaml pandas pyarrow \
matplotlib scipy pint graphviz CoolProp
python3 -m pip install --pre --no-index --find-links dist cantera
- name: Run the examples
# See https://unix.stackexchange.com/a/392973 for an explanation of the -exec part.
# Skip 1D_packed_bed.py due to difficulty installing scikits.odes.
# Increase figure limit to handle flame_speed_convergence_analysis.py.
run: |
ln -s libcantera_shared.so build/lib/libcantera_shared.so.3
rm samples/python/reactors/1D_packed_bed.py
rm samples/python/reactors/continuous_reactor.py
echo "figure.max_open_warning: 100" > matplotlibrc
export LD_LIBRARY_PATH=build/lib
find samples/python -type f -iname "*.py" \
-exec sh -c 'for n; do echo "$n" | tee -a results.txt && python3 "$n" >> results.txt || exit 1; done' sh {} +
env:
# The pyparsing ignore setting is due to a new warning introduced in Matplotlib==3.6.0
# @todo: Remove the trapz-related ignore when dropping support for NumPy 1.x
# and replacing np.trapz with np.trapezoid
# Ignore NasaPoly2 warnings from n-hexane-NUIG-2015.yaml
PYTHONWARNINGS: "error,ignore:warn_name_set_on_empty_Forward::pyparsing,ignore:datetime.datetime.utcfromtimestamp:DeprecationWarning:,ignore:`trapz`:DeprecationWarning,ignore:NasaPoly2:UserWarning:"
MPLBACKEND: Agg
- name: Save the results file for inspection
uses: actions/upload-artifact@v4
with:
path: results.txt
retention-days: 2
name: example-results-${{ matrix.python-version }}-${{ matrix.os }}-np${{ matrix.numpy || 'latest' }}
# Run this step if the job was successful or failed, but not if it was cancelled
# Using always() would run this step if the job was cancelled as well.
if: failure() || success()
multiple-sundials:
name: Sundials ${{ matrix.sundials-ver }} / fmt ${{ matrix.fmt-ver }}
runs-on: ubuntu-latest
timeout-minutes: 60
env:
PYTHON_VERSION: 3.8
defaults:
run:
shell: bash -l {0}
strategy:
matrix:
include:
- sundials-ver: 3
fmt-ver: 6.1.2
- sundials-ver: 4
fmt-ver: 8.1
- sundials-ver: 5.8
fmt-ver: 9.1
- sundials-ver: 6.4.1
fmt-ver: 10
- sundials-ver: 6.6
fmt-ver: 10
- sundials-ver: 7.0
fmt-ver: 11
extra-build-args: cxx_flags='-std=c++20'
fail-fast: false
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Set up micromamba
uses: mamba-org/setup-micromamba@v1
with:
environment-name: test-env
# See https://github.com/conda-forge/boost-cpp-feedstock/issues/41 for why we
# use boost-cpp rather than boost from conda-forge
create-args: >-
python=${{ env.PYTHON_VERSION }} sundials=${{ matrix.sundials-ver }} scons
numpy ruamel.yaml cython boost-cpp fmt=${{ matrix.fmt-ver }} eigen yaml-cpp
pandas libgomp openblas pytest pytest-xdist highfive python-graphviz
setuptools
post-cleanup: none
- name: Build Cantera
run: |
scons build system_fmt=y system_eigen=y system_yamlcpp=y system_sundials=y \
system_highfive=y blas_lapack_libs='lapack,blas' -j4 logging=debug debug=n \
optimize_flags='-O3 -ffast-math -fno-finite-math-only' \
${{ matrix.extra-build-args}}
- name: Test Cantera
run: scons test-zeroD test-python-reactor show_long_tests=yes verbose_tests=yes
- name: Test Install
# spot-check installation locations
run: |
scons install
test -f ${CONDA_PREFIX}/lib/libcantera_shared.so
test -f ${CONDA_PREFIX}/include/cantera/base/Solution.h
test -f ${CONDA_PREFIX}/bin/ck2yaml
test -f ${CONDA_PREFIX}/share/cantera/data/gri30.yaml
test -d ${CONDA_PREFIX}/share/cantera/samples
test -d ${CONDA_PREFIX}/share/cantera/samples/python
test -d ${CONDA_PREFIX}/lib/python${{ env.PYTHON_VERSION }}/site-packages/cantera
- name: Test Essentials
# ensure that Python package loads and converter scripts work
run: |
python -c 'import cantera as ct; import sys; sys.exit(0) if ct.__version__.startswith("3.1.0") else sys.exit(1)'
ck2yaml --input=test/data/h2o2.inp --output=h2o2-test.yaml
test -f h2o2-test.yaml
cti2yaml test/data/ch4_ion.cti ch4_ion-test.yaml
test -f ch4_ion-test.yaml
yaml2ck data/h2o2.yaml --mechanism=h2o2-test.ck
test -f h2o2-test.ck
windows-2022:
name: Windows 2022, Python ${{ matrix.python-version }}, fmt ${{ matrix.fmt-ver }}
runs-on: windows-2022
timeout-minutes: 60
defaults:
run:
shell: bash -l {0}
strategy:
matrix:
include:
- python-version: '3.8'
fmt-ver: '10'
- python-version: '3.10'
fmt-ver: '8.1'
- python-version: '3.11'
fmt-ver: '9.1'
- python-version: '3.12'
fmt-ver: '7.1'
- python-version: '3.13'
fmt-ver: '11.0'
extra-build-args: cxx_flags='/EHsc /std:c++20 /utf-8'
fail-fast: false
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Set up micromamba
uses: mamba-org/setup-micromamba@v1
with:
environment-name: test-env
# See https://github.com/conda-forge/boost-cpp-feedstock/issues/41 for why we
# use boost-cpp rather than boost from conda-forge
# Install SCons >=4.4.0 to make sure that MSVC_TOOLSET_VERSION variable is present
create-args: >-
python=${{ matrix.python-version }} scons numpy cython ruamel.yaml boost-cpp
eigen yaml-cpp pandas pytest pytest-xdist highfive pint python-graphviz
fmt=${{ matrix.fmt-ver }} setuptools
init-shell: powershell bash
post-cleanup: none
- name: Build Cantera
run: scons build system_eigen=y system_yamlcpp=y system_highfive=y logging=debug
toolchain=msvc f90_interface=n debug=n ${{ matrix.extra-build-args }}
--debug=time -j4
shell: pwsh
- name: Upload shared library
# Pin to 4.3.4 to resolve errors around only uploading symlinks.
# See https://github.com/actions/upload-artifact/issues/589
uses: actions/[email protected]
if: matrix.python-version == '3.11'
with:
path: build/lib/cantera_shared.dll
name: cantera_shared.dll
retention-days: 2
- name: Build Tests
run: scons -j4 build-tests --debug=time
- name: Run compiled tests
run: scons test-gtest test-legacy --debug=time
- name: Run Python tests
run: |
pytest -raP -v -n auto --durations=50 test/python
shell: pwsh
- name: Test Install
# spot-check installation locations
run: |
set -x
scons install
test -f ${CONDA_PREFIX}/Library/bin/cantera_shared.dll
test -f ${CONDA_PREFIX}/Library/include/cantera/base/Solution.h
test -f ${CONDA_PREFIX}/Scripts/ck2yaml
test -f ${CONDA_PREFIX}/share/cantera/data/gri30.yaml
test -d ${CONDA_PREFIX}/share/cantera/samples
test -d ${CONDA_PREFIX}/share/cantera/samples/python
test -d ${CONDA_PREFIX}/Lib/site-packages/cantera
- name: Test Essentials
# ensure that Python package loads and converter scripts work
run: |
set -x
python -c 'import cantera as ct; import sys; sys.exit(0) if ct.__version__.startswith("3.1.0") else sys.exit(1)'
ck2yaml --input=test/data/h2o2.inp --output=h2o2-test.yaml
test -f h2o2-test.yaml
cti2yaml test/data/ch4_ion.cti ch4_ion-test.yaml
test -f ch4_ion-test.yaml
yaml2ck data/h2o2.yaml --mechanism=h2o2-test.ck
test -f h2o2-test.ck
windows:
name: "Windows 2019, MSVC ${{ matrix.vs-toolset }}, Python ${{ matrix.python-version }}"
runs-on: windows-2019
timeout-minutes: 60
env:
BOOST_ROOT: ${{github.workspace}}/3rdparty/boost
BOOST_URL: https://boostorg.jfrog.io/artifactory/main/release/1.78.0/source/boost_1_78_0.7z
strategy:
matrix:
vs-toolset: ['14.2']
python-version: ["3.8", "3.10", "3.11", "3.12", "3.13"]
fail-fast: false
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Set Up Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
architecture: x64
- name: Install Python dependencies
run: |
python -m pip install -U pip setuptools wheel
python -m pip install 'scons<4.4.0' pypiwin32 numpy ruamel.yaml cython pandas graphviz pytest pytest-xdist pytest-github-actions-annotate-failures
- name: Restore Boost cache
uses: actions/cache@v4
id: cache-boost
with:
path: ${{env.BOOST_ROOT}}
key: boost-178-win
- name: Install Boost Headers
if: steps.cache-boost.outputs.cache-hit != 'true'
run: |
BOOST_ROOT=$(echo $BOOST_ROOT | sed 's/\\/\//g')
mkdir -p $BOOST_ROOT
curl --progress-bar --location --output $BOOST_ROOT/download.7z $BOOST_URL
7z -o$BOOST_ROOT x $BOOST_ROOT/download.7z -y -bd boost_1_78_0/boost
mv $BOOST_ROOT/boost_1_78_0/boost $BOOST_ROOT/boost
rm $BOOST_ROOT/download.7z
shell: bash
- name: Build Cantera
run: scons build -j4 boost_inc_dir=%BOOST_ROOT% debug=n logging=debug
python_package=y env_vars=USERPROFILE,GITHUB_ACTIONS
msvc_version=${{ matrix.vs-toolset }} f90_interface=n --debug=time
shell: cmd
- name: Build Tests
run: scons -j4 build-tests --debug=time
- name: Run compiled tests
run: scons test-gtest test-legacy --debug=time
- name: Run Python tests
run: python -m pytest -raP -v -n auto --durations=50 test/python
# Adapted from https://www.scivision.dev/intel-oneapi-github-actions/
linux-intel-oneapi:
name: intel-oneAPI on Ubuntu, Python 3.8
runs-on: ubuntu-latest
timeout-minutes: 60
env:
INTEL_REPO: https://apt.repos.intel.com
INTEL_KEY: GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
steps:
- name: Intel Apt repository
timeout-minutes: 1
run: |
wget ${INTEL_REPO}/intel-gpg-keys/${INTEL_KEY}
sudo apt-key add ${INTEL_KEY}
rm ${INTEL_KEY}
echo "deb ${INTEL_REPO}/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
sudo apt-get update
- name: Install Intel oneAPI
timeout-minutes: 15
run: |
sudo apt-get install intel-oneapi-compiler-fortran intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic \
intel-oneapi-mpi intel-oneapi-mpi-devel intel-oneapi-mkl ninja-build libboost-dev libhdf5-dev
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.8
architecture: x64
- name: Upgrade pip
run: python3 -m pip install -U pip setuptools wheel
- name: Install Python dependencies
run: |
python3 -m pip install ruamel.yaml scons numpy cython pandas pytest \
pytest-xdist pytest-github-actions-annotate-failures pint graphviz
- name: Setup Intel oneAPI environment
run: |
source /opt/intel/oneapi/setvars.sh
printenv >> $GITHUB_ENV
- name: Build Cantera
run: python3 `which scons` build env_vars=all CC=icx CXX=icpx -j4 debug=n
--debug=time f90_interface=n # FORTRAN=ifx
- name: Build Tests
run: python3 `which scons` -j4 build-tests --debug=time
- name: Run compiled tests
run: python3 `which scons` test-gtest test-legacy --debug=time
- name: Run Python tests
run: |
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:build/lib
python3 -m pytest -raP -v -n auto --durations=50 test/python
windows-mingw:
name: mingw on Windows, Python 3.10
runs-on: windows-2022
timeout-minutes: 120 # MinGW is slooooow
env:
BOOST_ROOT: ${{github.workspace}}/3rdparty/boost
BOOST_URL: https://boostorg.jfrog.io/artifactory/main/release/1.78.0/source/boost_1_78_0.7z
steps:
- uses: actions/checkout@v4
name: Checkout the repository
with:
submodules: recursive
- name: Set Up Python
uses: actions/setup-python@v5
with:
python-version: "3.10"
architecture: x64
- name: Install Python dependencies
run: |
python -m pip install -U pip setuptools wheel
python -m pip install scons pypiwin32 numpy ruamel.yaml cython h5py pandas pytest pytest-xdist pytest-github-actions-annotate-failures pint graphviz
- name: Restore Boost cache
uses: actions/cache@v4
id: cache-boost
with:
path: ${{env.BOOST_ROOT}}
key: boost-178-win
- name: Set up MinGW
uses: egor-tensin/setup-mingw@v2
with:
platform: x64
static: false
version: 12.2
- name: Install Boost Headers
if: steps.cache-boost.outputs.cache-hit != 'true'
run: |
BOOST_ROOT=$(echo $BOOST_ROOT | sed 's/\\/\//g')
mkdir -p $BOOST_ROOT
curl --progress-bar --location --output $BOOST_ROOT/download.7z $BOOST_URL
7z -o$BOOST_ROOT x $BOOST_ROOT/download.7z -y -bd boost_1_78_0/boost
mv $BOOST_ROOT/boost_1_78_0/boost $BOOST_ROOT/boost
rm $BOOST_ROOT/download.7z
shell: bash
- name: Build Cantera
run: scons build -j4 boost_inc_dir=%BOOST_ROOT% debug=n logging=debug
python_package=y env_vars=USERPROFILE,PYTHONPATH,GITHUB_ACTIONS
toolchain=mingw f90_interface=n --debug=time
shell: cmd
- name: Upload Wheel
uses: actions/upload-artifact@v4
with:
path: build\python\dist\Cantera*.whl
name: Cantera-win_amd64.whl
retention-days: 2
- name: Build Tests
run: scons -j4 build-tests --debug=time
- name: Run compiled tests
run: scons test-gtest test-legacy --debug=time
- name: Run Python tests
run: python -m pytest -raP -v -n auto --durations=50 test/python
- name: Upload Test binaries
if: always()
uses: actions/upload-artifact@v4
with:
path: |
build/test/**/*.exe
build/lib/*.dll
name: mingw-gtest-binaries
retention-days: 2
dotnet:
name: .NET on ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-22.04, windows-2022, macos-13]
fail-fast: false
runs-on: ${{ matrix.os }}
needs: [ubuntu-multiple-pythons, macos-multiple-pythons, windows-2022]
timeout-minutes: 60
steps:
- uses: actions/checkout@v4
name: Checkout the repository
- name: Install Python dependencies
# Install for the default system Python 3, which is used by 'dotnet build'
run: python3 -m pip install ruamel.yaml Jinja2
- name: Install library dependencies with micromamba (Windows)
uses: mamba-org/setup-micromamba@v1
with:
environment-name: test-env
# fmt needs to match the version of the windows-2022 runner selected to upload
# the cantera_shared.dll artifact
create-args: >-
yaml-cpp mkl highfive fmt=9.1
init-shell: bash powershell
post-cleanup: none
if: matrix.os == 'windows-2022'
- name: Install Brew dependencies (macOS)
run: brew install --display-times hdf5
if: matrix.os == 'macos-13'
- name: Install Apt dependencies (Ubuntu)
run: |
sudo apt update
sudo apt install libhdf5-dev libfmt-dev
if: matrix.os == 'ubuntu-22.04'
- name: Setup .NET Core SDK
uses: actions/setup-dotnet@v4
with:
dotnet-version: '6.x'
- name: Download the Cantera shared library (.so)
uses: actions/download-artifact@v4
with:
name: libcantera_shared-ubuntu-22.04.so
path: build/lib
- name: Download the Cantera shared library (.dylib)
uses: actions/download-artifact@v4
with:
name: libcantera_shared.dylib
path: build/lib
- name: Download the Cantera shared library (.dll)
uses: actions/download-artifact@v4
with:
name: cantera_shared.dll
path: build/lib
- name: Build the .NET interface
run: dotnet build
working-directory: interfaces/dotnet
- name: Test the .NET interface
run: dotnet test
working-directory: interfaces/dotnet
- name: Run the .NET samples
run: |
dotnet run --project examples/Application
dotnet run --project examples/SoundSpeed
working-directory: interfaces/dotnet