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Merge pull request #371 from mabruzzo/rename-gracklepy
The *Great Renaming:* `gracklepy` edition
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.circleci/config.yml

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@@ -36,7 +36,7 @@ commands:
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command: |
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source $BASH_ENV
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# libtool-bin is a requirement of the classic build-system
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# castxml is a requirement of the pygrackle test-suite
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# castxml is a requirement of the gracklepy test-suite
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sudo apt install -y libtool-bin castxml
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python3 -m venv $HOME/venv
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source $HOME/venv/bin/activate
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source $BASH_ENV
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source $HOME/venv/bin/activate
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cd src/python
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flake8 pygrackle examples tests
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flake8 gracklepy examples tests
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install-grackle:
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description: "Install the core Grackle Library & Pygrackle."
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Grackle_DIR=${PWD}/build pip install -v -e .
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fi
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install-standalone-pygrackle:
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description: "Install pygrackle without explicitly building the grackle library."
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install-standalone-gracklepy:
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description: "Install gracklepy without explicitly building the grackle library."
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parameters:
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tag:
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type: string
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default: $CIRCLE_BRANCH
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steps:
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- run:
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name: "Install pygrackle."
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name: "Install gracklepy."
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command: |
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source $HOME/venv/bin/activate
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git checkout << parameters.tag >>
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source $BASH_ENV # sets up YT_DATA_DIR, env variable
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./scripts/ci/fetch_test_data.py
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run-pygrackle-tests:
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description: "Run the pytest test-suite. This suite includes a mix of general tests and pygrackle-specific tests."
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run-gracklepy-tests:
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description: "Run the pytest test-suite. This suite includes a mix of general tests and gracklepy-specific tests."
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parameters:
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omp:
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type: enum
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build_kind:
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type: enum
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default: 'classic'
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enum: ['classic', 'cmake', 'standalone-pygrackle']
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enum: ['classic', 'cmake', 'standalone-gracklepy']
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generate:
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type: enum
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default: 'true'
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# actually execute the tests
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if [[ '<< parameters.build_kind >>' == 'classic' &&
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'<< parameters.omp >>' == 'true' ]]; then
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echo "ERROR: pygrackle tests can't be run in this configuration"
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echo "ERROR: gracklepy tests can't be run in this configuration"
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exit 1
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else
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fi
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fi
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store-pygrackle-suite-gold-standard-answers:
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description: "Store the pygrackle test answers"
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store-gracklepy-suite-gold-standard-answers:
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description: "Store the gracklepy test answers"
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parameters:
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gold-standard-tag:
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description: "The gold-standard to use for generating the answers"
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name: "Build Pygrackle from Gold-Standard Commit (<< parameters.gold-standard-tag >>)"
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command: |
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source $HOME/venv/bin/activate
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pip uninstall --yes pygrackle # it's ok if pygrackle wasn't installed yet
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pip uninstall --yes gracklepy # it's ok if gracklepy wasn't installed yet
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git checkout << parameters.gold-standard-tag >>
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pip install -e .
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- run-pygrackle-tests:
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- run-gracklepy-tests:
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omp: 'false'
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build_kind: 'standalone-pygrackle'
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build_kind: 'standalone-gracklepy'
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generate: 'true'
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- run:
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command: |
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source $HOME/venv/bin/activate
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pip uninstall --yes pygrackle
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pip uninstall --yes gracklepy
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build-docs:
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- install-dependencies
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- lint
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- download-test-data
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- store-pygrackle-suite-gold-standard-answers
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- store-gracklepy-suite-gold-standard-answers
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- run:
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name: "Build Standalone Pygrackle from the commit that triggered CI."
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command: |
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source $HOME/venv/bin/activate
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git checkout $CIRCLE_BRANCH
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pip install -e .
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- run-pygrackle-tests:
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- run-gracklepy-tests:
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omp: 'false'
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build_kind: 'standalone-pygrackle'
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build_kind: 'standalone-gracklepy'
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generate: 'false'
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# run pygrackle-test (without answer-tests) on latest commit (CMake-build)
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# run gracklepy-test (without answer-tests) on latest commit (CMake-build)
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- install-grackle:
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omp: 'false'
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classic_build: 'false'
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tag: $CIRCLE_BRANCH
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- run:
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name: "pygrackle-tests (no answer-tests) on latest commit (corelib manually built with CMake)"
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name: "gracklepy-tests (no answer-tests) on latest commit (corelib manually built with CMake)"
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command: source $BASH_ENV && source $HOME/venv/bin/activate && py.test
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# run full pygrackle test-suite on latest commit (classic-build)
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# run full gracklepy test-suite on latest commit (classic-build)
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- install-grackle:
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omp: 'false'
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classic_build: 'true'
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tag: $CIRCLE_BRANCH
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- run:
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name: "pygrackle-tests (no answer-tests) on latest commit (corelib manually created with classic-build)"
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name: "gracklepy-tests (no answer-tests) on latest commit (corelib manually created with classic-build)"
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command: source $BASH_ENV && source $HOME/venv/bin/activate && py.test
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corelib-tests:

README.rst

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@@ -13,7 +13,7 @@ Grackle
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`Documentation <https://grackle.readthedocs.io/en/latest/>`__ |
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`Installation <https://grackle.readthedocs.io/en/latest/Installation.html>`__ |
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`Pygrackle Installation <https://grackle.readthedocs.io/en/latest/Python.html>`__ |
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`Gracklepy Installation <https://grackle.readthedocs.io/en/latest/Python.html>`__ |
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`Usage Guide <https://grackle.readthedocs.io/en/latest/Interaction.html>`__ |
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`Integration Guide <https://grackle.readthedocs.io/en/latest/Integration.html>`__ |
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`Contributing <https://grackle.readthedocs.io/en/latest/Contributing.html>`__ |
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Grackle is a chemistry and radiative cooling library for astrophysical simulations and models.
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The core library provides interfaces for C, C++ and Fortran simulation codes.
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The project also offers the Pygrackle package to provide Python bindings.
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The project also offers the Gracklepy package to provide Python bindings.
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Features
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--------
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For more details **(especially if you encounter any errors),** see our comprehensive `Installation Guide <https://grackle.readthedocs.io/en/latest/Installation.html>`__.
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It provides more context for inexperienced CMake users, describes additional configuration options (relevant if you encounter issues), and describes Grackle's "classic" build-system.
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Building Pygrackle from Source
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Building Gracklepy from Source
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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Once you have a Fortran compiler and a copy of HDF5 (1.6 or newer), simply invoke the following from the root of the Grackle repository
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~/grackle $ pip install .
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For more about installation see our `Pygrackle installation guide <https://grackle.readthedocs.io/en/latest/Python.html>`__.
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For more about installation see our `Gracklepy installation guide <https://grackle.readthedocs.io/en/latest/Python.html>`__.
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**NOTE:** Gracklepy was formerly known as Pygrackle.
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If you previously installed Pygrackle, you should uninstall it before you install GracklePy.
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Getting Started
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---------------
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- a `Usage Guide <https://grackle.readthedocs.io/en/latest/Interaction.html>`__
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- example Grackle programs written in `C, C++, and Fortran <https://github.com/grackle-project/grackle/tree/main/src/example>`__
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- an `Integration Guide <https://grackle.readthedocs.io/en/latest/Integration.html>`__ (for linking Grackle)
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- a curated `guide <https://grackle.readthedocs.io/en/latest/Python.html#running-the-example-scripts>`__ for the Pygrackle examples
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- a curated `guide <https://grackle.readthedocs.io/en/latest/Python.html#running-the-example-scripts>`__ for the Gracklepy examples
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Contributing
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------------

doc/source/Contributing.rst

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@@ -12,7 +12,7 @@ This section provides a short list of tasks to complete when a new field is intr
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(i) the field is initialized to the appropriate default value.
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(ii) the new field and its value are printed when ``grackle_verbose = 1``
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(iii) the field can be accessed by the functions providing the dynamic access to members of :c:data:`chemistry_data` (see :ref:`dynamic-api`)
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(iv) the new field is accessible from Pygrackle (because that interface uses the functions providing dynamic access)
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(iv) the new field is accessible from Gracklepy (because that interface uses the functions providing dynamic access)
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2. Update the fortran definition for the ``grackle_chemistry_data`` type (in ``src/clib/grackle_fortran_interface.def``). This type must exactly match the definition of :c:data:`chemistry_data` and is used to integrate Grackle into simulation codes written in Fortran.
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doc/source/Installation.rst

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@@ -720,7 +720,7 @@ Compiler Toolchain Compatability
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As a general rule of thumb, the easiest, most reliable thing to do is to ensure that Grackle is built with the same compiler toolchain (or a compatible one) as the
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* the downstream application itself (whether it's a simulation code or pygrackle)
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* the downstream application itself (whether it's a simulation code or gracklepy)
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* any other dependencies of the application (whether it's other software libraries or other python extension-modules loaded at the same time).
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This is only something you need to consider on platforms with multiple compiler toolchains present.

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