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elv3rsbhourahine
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Use toml for the ford settings
With the introduction of TOML support in Ford version 7.0, it is now recommended to specify the Project Options in the [extra.ford] section of a fpm.toml file. This change migrates the settings from the markdown project file to an equivalent TOML configuration. The Ford invocation remains unchanged and continues to simply be: $ ford dftbplus-project-file.md To avoid having the main project file be completely devoid of content, I copied over some material from the project README.
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macro:
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DEBUG=0
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WITH_MPI=1
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WITH_ARPACK=1
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WITH_DFTD3=1
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WITH_SOCKETS=1
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RELEASE=24.1
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preprocess: true
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src_dir:
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../../../app/dftb+
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../../../app/modes
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../../../app/waveplot
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../../../app/misc
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output_dir: ./doc
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project_github: https://github.com/dftbplus/dftbplus
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project_website: http://www.dftbplus.org
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summary: The DFTB+ package for fast quantum mechanical atomistic simulations
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author: The DFTB+ developers group
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preprocessor: ../../../external/fypp/bin/fypp
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include: ../../../src/dftbp/include
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../../../external/dftd4refs
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predocmark: >
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display: public
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protected
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proc_internals: false
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source: true
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graph: true
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search: false
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license: by
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warn: true
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## Information
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The most recent features are described in the (open access) [DFTB+ paper](https://doi.org/10.1063/1.5143190).
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Consult the following resources for documentation:
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- [Step-by-step instructions with selected examples (DFTB+ Recipes)](http://dftbplus-recipes.readthedocs.io/)
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- [Reference manual describing all features (DFTB+ Manual)](https://github.com/dftbplus/dftbplus/releases/latest/download/manual.pdf)
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## Contributing
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New features, bug fixes, documentation, tutorial examples, and code testing are welcome in the DFTB+ developer community!
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The project is [hosted on GitHub](https://github.com/dftbplus/).
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Please check [CONTRIBUTING.rst](https://github.com/elv3rs/dftbplus/blob/main/CONTRIBUTING.rst) and the [DFTB+ Developers Guide](https://dftbplus-develguide.readthedocs.io/) for guidelines.
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We look forward to your pull request!

doc/dftb+/ford/fpm.toml

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[extra.ford]
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macro = [
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"DEBUG=0",
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"WITH_MPI=1",
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"WITH_ARPACK=1",
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"WITH_DFTD3=1",
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"WITH_SOCKETS=1",
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"RELEASE=24.1"
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]
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preprocess = true
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preprocessor = "../../../external/fypp/bin/fypp"
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src_dir = [
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"../../../app/dftb+",
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"../../../app/modes",
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"../../../app/waveplot",
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"../../../app/misc"
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]
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include = [
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"../../../src/dftbp/include",
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"../../../external/dftd4refs"
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]
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output_dir = "./doc"
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project = "DFTB+"
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project_github = "https://github.com/dftbplus/dftbplus"
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project_website = "http://www.dftbplus.org"
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version = 24.1
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summary = "DFTB+ is a software package for carrying out fast quantum mechanical atomistic calculations based on the Density Functional Tight Binding method."
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author = "The DFTB+ developers group"
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license = "lgpl"
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doc_license = "by"
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predocmark = ">"
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display = ["public", "protected"]
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proc_internals = false
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source = true
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graph = true
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search = false
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warn = true

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