add unit test framework for pair, bond, angle styles from progguide branch
This commit is contained in:
Axel Kohlmeyer
@ -57,33 +57,64 @@ variable during configuration. Examples:
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.. _testing:
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Code Coverage and Testing
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---------------------------------------
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Code Coverage and Unit Testing
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------------------------------
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We do extensive regression testing of the LAMMPS code base on a continuous
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basis. Some of the logic to do this has been added to the CMake build so
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developers can run the tests directly on their workstation.
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The LAMMPS code is subject to multiple levels of automated testing
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during development: integration testing (i.e. whether the code compiles
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on various platforms and with a variety of settings), unit testing
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(i.e. whether certain individual parts of the code produce the expected
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results for given inputs), run testing (whether selected complete input
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decks run without crashing for multiple configurations), and regression
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testing (i.e. whether selected input examples reproduce the same
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results over a given number of steps and operations within a given
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error margin). The status of this automated testing can be viewed on
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`https://ci.lammps.org <https://ci.lammps.org>`_.
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The unit testing facility is integrated into the CMake build process
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of the LAMMPS source code distribution itself. It can be enabled by
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setting ``-D ENABLE_TESTING=on`` during the CMake configuration step.
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It requires the `YAML <http://pyyaml.org/>`_ library and development
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headers to compile and will download and compile the
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`Googletest <https://github.com/google/googletest/>`_ C++ test framework
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for programming the tests.
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After compilation is complete, the unit testing is started in the build
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folder using the ``ctest`` command, which is part of the CMake software.
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The output of this command will be looking something like this::
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[...]$ ctest
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Test project /home/akohlmey/compile/lammps/build-testing
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Start 1: MolPairStyle:hybrid-overlay
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1/26 Test #1: MolPairStyle:hybrid-overlay ......... Passed 0.02 sec
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Start 2: MolPairStyle:hybrid
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2/26 Test #2: MolPairStyle:hybrid ................. Passed 0.01 sec
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Start 3: MolPairStyle:lj_class2
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[...]
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Start 25: AngleStyle:harmonic
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25/26 Test #25: AngleStyle:harmonic ................. Passed 0.01 sec
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Start 26: AngleStyle:zero
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26/26 Test #26: AngleStyle:zero ..................... Passed 0.01 sec
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100% tests passed, 0 tests failed out of 26
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Total Test time (real) = 0.27 sec
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.. note::
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this is incomplete and only represents a small subset of tests that we run
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This unit test framework is new and still under development.
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The coverage is only minimal and will be expanded over time.
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Tests styles of the same kind of style (e.g. pair styles or
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bond styles) are performed with the same executable using
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different input files in YAML format. So to add a test for
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another pair style can be done by copying the YAML file and
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editing the style settings and then running the individual test
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program with a flag to update the computed reference data.
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Detailed documentation about how to add new test program and
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the contents of the YAML files for existing test programs
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will be provided in time as well.
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.. code-block:: bash
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-D ENABLE_TESTING=value # enable simple run tests of LAMMPS, value = no (default) or yes
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-D LAMMPS_TESTING_SOURCE_DIR=path # path to lammps-testing repository (option if in custom location)
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-D LAMMPS_TESTING_GIT_TAG=value # version of lammps-testing repository that should be used, value = master (default) or custom git commit or tag
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If you enable testing in the CMake build it will create an additional
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target called "test". You can run them with:
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.. code-block:: bash
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cmake --build . test
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The test cases used come from the lammps-testing repository. They are
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derivatives of the examples folder with some modifications to make the
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run faster.
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------------
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You can also collect code coverage metrics while running the tests by
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enabling coverage support during building.
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@ -93,16 +124,15 @@ enabling coverage support during building.
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-D ENABLE_COVERAGE=value # enable coverage measurements, value = no (default) or yes
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This will also add the following targets to generate coverage reports
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after running the LAMMPS executable:
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after running the LAMMPS executable or the unit tests:
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.. code-block:: bash
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make test # run tests first!
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make gen_coverage_html # generate coverage report in HTML format
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make gen_coverage_xml # generate coverage report in XML format
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These reports require GCOVR to be installed. The easiest way to do this
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to install it via pip:
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These reports require `GCOVR <https://gcovr.com/>`_ to be installed. The easiest way
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to do this to install it via pip:
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.. code-block:: bash
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