TraceLD.RDKit.CSharp 0.3.0

.NET 6.0 
dotnet add package TraceLD.RDKit.CSharp --version 0.3.0
NuGet\Install-Package TraceLD.RDKit.CSharp -Version 0.3.0
This command is intended to be used within the Package Manager Console in Visual Studio, as it uses the NuGet module's version of Install-Package. 
<PackageReference Include="TraceLD.RDKit.CSharp" Version="0.3.0" />
For projects that support PackageReference, copy this XML node into the project file to reference the package. 
paket add TraceLD.RDKit.CSharp --version 0.3.0
#r "nuget: TraceLD.RDKit.CSharp, 0.3.0"
#r directive can be used in F# Interactive and Polyglot Notebooks. Copy this into the interactive tool or source code of the script to reference the package. 
// Install TraceLD.RDKit.CSharp as a Cake Addin
#addin nuget:?package=TraceLD.RDKit.CSharp&version=0.3.0

// Install TraceLD.RDKit.CSharp as a Cake Tool
#tool nuget:?package=TraceLD.RDKit.CSharp&version=0.3.0

TraceLD.RDKit.CSharp

C# Wrapper for the RDKit C++ cheminformatics library with support for Windows, Linux and macOS.

Usage

  • Create a new .NET project targeting net6.0.
  • Add the package from nuget.
  • Build your project.
  • Hopefully everything works 😃 (assuming you're running on a supported system).

See the Examples folder for an example project.

Currently supported operating systems

Windows

  • Supports Windows 10 x86 and x64 and Windows 11 x64.
  • Tested on Win 10 and Win 11 21H2 (OS Build 22000.613).

Linux

  • Supports x64 Linux.
  • Currently tested distros:
    • Debian GNU/Linux 11 (bullseye): 5.10.16.3-microsoft-standard-WSL2
    • Ubuntu 18.04.5 LTS: 5.10.16.3-microsoft-standard-WSL2
    • Other distros should work but you might find some packages need to first be installed.
      • I will be testing (and adding support for, if changes are needed) the package on more distros as time permits.

macOS

  • Supports ARM64 (Apple Sillicon) Monterrey.
  • I sadly do not own an Intel Mac to be able to provide x64 binaries and test them.
    • I will look into GitHub Actions/Azure Pipelines in the future for this but can't guarantee success.

Release info

  • RDKit: Release_2021_09_4
  • dotnet: targets net6.0 (built using .NET SDK 6.0.202)
  • SWIG: 3.0.12
  • Boost: boost_1_74_0-msvc-14.2 (Win), boost 1.74.0 (linux), boost 1.79.0 (macOS)
  • Cairo: 1.16.0
  • libpng: 1.6.37
  • pixman: 0.40.0
  • zlib: 1.2.11

Known issues and limitations

  • Using gzstream results in an exception on Linux and macOS.

Acknowledgements

kazuyaujihara/build-rdkit (https://github.com/kazuyaujihara/build-rdkit) repository was of great help when building the package.

Product Compatible and additional computed target framework versions.
.NET net6.0 is compatible.  net6.0-android was computed.  net6.0-ios was computed.  net6.0-maccatalyst was computed.  net6.0-macos was computed.  net6.0-tvos was computed.  net6.0-windows was computed.  net7.0 was computed.  net7.0-android was computed.  net7.0-ios was computed.  net7.0-maccatalyst was computed.  net7.0-macos was computed.  net7.0-tvos was computed.  net7.0-windows was computed.  net8.0 was computed.  net8.0-android was computed.  net8.0-browser was computed.  net8.0-ios was computed.  net8.0-maccatalyst was computed.  net8.0-macos was computed.  net8.0-tvos was computed.  net8.0-windows was computed. 
Compatible target framework(s)
Included target framework(s) (in package)
Learn more about Target Frameworks and .NET Standard.

  • net6.0

    • No dependencies.

NuGet packages

This package is not used by any NuGet packages.

GitHub repositories

This package is not used by any popular GitHub repositories.

Version Downloads Last updated
0.3.0 743 4/28/2022
0.2.0 551 4/27/2022
0.1.0 473 4/27/2022