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README updates (#208)
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README.md

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![logo](https://raw.githubusercontent.com/wiki/open-atmos/PyPartMC/logo.svg)
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# PyPartMC (pre-alpha!)
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# PyPartMC
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PyPartMC is a Python interface to [PartMC](https://lagrange.mechse.illinois.edu/partmc/),
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a particle-resolved Monte-Carlo code for atmospheric aerosol simulation.
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Since PyPartMC is implemented in C++, it also constitutes a C++ API to the PartMC Fortran internals;
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the Python API can be used from other environments - see, e.g., Julia example below.
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PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals.
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The Python API can facilitate using PartMC from other environments - see, e.g., Julia example below.
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[![US Funding](https://img.shields.io/static/v1?label=US%20DOE%20Funding%20by&color=267c32&message=ASR&logoWidth=25&logo=image/png;base64,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)](https://asr.science.energy.gov/)
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[![License: GPL v3](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0.html)
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- hassle-free installation using `pip` (prior PartMC installation **not needed**)
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- works out of the box on [mybinder.org](https://mybinder.org/), [Google Colab](colab.research.google.com/) and alike
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- ships with [a set of examples](https://github.com/open-atmos/PyPartMC-examples) maintained in a form of Jupyter notebooks
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- Pythonic API (but retaining PartMC jargon) incl. exceptions and GC deallocation of Fortran objects
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- Pythonic API (but retaining PartMC jargon) incl. Python GC deallocation of Fortran objects
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- specification of parameters using native Python datatypes (lists, dicts) in place of PartMC spec files
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- code snippets in README depicting how to use PyPartMC from Julia (also executed on CI)
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- auto-generated [docs on the web](https://open-atmos.github.io/PyPartMC/)
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- support for [de]serialization of all exposed structures using JSON
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- auto-generated [API docs on the web](https://open-atmos.github.io/PyPartMC/)
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- support for [de]serialization of selected wrapped structures using JSON
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- based on [unmodified PartMC code](https://github.com/open-atmos/PyPartMC/tree/main/gitmodules)
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- does not use or require shell or netCDF Fortran library
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- aiming at 100% [unit test coverage](https://github.com/open-atmos/PyPartMC/tree/main/tests)
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- PyPartMC is written in C++, Fortran and uses [pybind11](https://pybind11.readthedocs.io/en/stable/) and [CMake](https://cmake.org/).
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- JSON support is handled with [nlohmann::json](https://github.com/nlohmann/json) and [pybind11_json](https://github.com/pybind/pybind11_json)
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- PartMC and selected parts of SUNDIALS are compiled during `pip install` and statically linked
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- PartMC and selected parts of SUNDIALS are statically linked (and compiled in during `pip install` or `python -m build`)
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- C (SUNDIALS), C++ (pybind11, ...) and Fortran (PartMC, CAMP) dependencies are linked through [git submodules](https://github.com/open-atmos/PyPartMC/blob/main/.gitmodules)
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- a [mock of Fortran netCDF API](https://github.com/open-atmos/PyPartMC/blob/main/src/fake_netcdf.F90) and a [mock of PartMC spec file API](https://github.com/open-atmos/PyPartMC/blob/main/src/fake_spec_file.F90) are used for i/o from/to JSON
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#### PyPartMC:
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author: [PyPartMC developers](https://github.com/open-atmos/PyPartMC/graphs/contributors)
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authors: [PyPartMC developers](https://github.com/open-atmos/PyPartMC/graphs/contributors)
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funding: [US Department of Energy Atmospheric System Research programme](https://asr.science.energy.gov/)
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copyright: [University of Illinois at Urbana-Champaign](https://atmos.illinois.edu/)
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licence: [GPL v3](https://www.gnu.org/licenses/gpl-3.0.en.html)

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