TraceLD.RDKit.CSharp
0.3.0
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
The NuGet Team does not provide support for this client. Please contact its maintainers for support.
#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
The NuGet Team does not provide support for this client. Please contact its maintainers for support.
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
gzstreamresults 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 | Versions 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. net9.0 was computed. net9.0-android was computed. net9.0-browser was computed. net9.0-ios was computed. net9.0-maccatalyst was computed. net9.0-macos was computed. net9.0-tvos was computed. net9.0-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.