KNIME feature for all 3D-e-Chem nodes.
The 3D-e-chem project of the Netherlands eScience Center, VU Medicinal Chemistry, CMBI Radboud University made a set of KNIME nodes listed at https://www.knime.com/3d-e-chem-nodes-for-knime, this repository combines all the nodes into a single feature which can be installed from the community contributions update site.
This project uses Eclipse Tycho to perform build steps.
Requirements:
Steps to get the 3D-e-Chem nodes inside KNIME:
KNIME Community nodes - Cheminformatics
folder3D-e-Chem KNIME nodes
Some nodes need Python packages, those nodes have install instructions in their node description and print a warning when attempting to run them without the required Python package.
Each KNIME node developed in the 3D-e-Chem project has it own Github repository, Eclipse feature and Eclipse plugin.
The update site https://3d-e-chem.github.io/updates/5.1
contains the Eclipse features of all the 3D-e-Chem developed nodes.
When using this update site in KNIME, it will list all the nodes by their repository.
This update site https://3d-e-chem.github.io/knime-node-collection
contains a single Eclipse feature which combines all the 3D-e-Chem developed nodes.
When using this update site in KNIME, it will list a single feature for all 3D-e-Chem nodes.
Cons of using this repo:
Pros of using this repo:
KNIME Community nodes - Cheminformatics
folder. Users do not need to configure an extra update site.So to have the latest version of each node you should use https://3d-e-chem.github.io/updates/5.1
, but for stable releases use https://3d-e-chem.github.io/knime-node-collection
.
To include a KNIME node into the 3D-e-Chem KNIME nodes feature, it's plugin(s) and optional 3D-e-Chem dependencies must be added to the feature/feature.xml
file.
Followed by making a new release, see below.
The updated KNIME node can be included in the 3D-e-Chem nodes feature by making a new release, see below.
mvn verify
An Eclipse update site will be made in p2/target/repository
repository.
The update site can be used to perform a local installation.
Steps to get development environment setup based on https://github.com/knime/knime-sdk-setup#sdk-setup:
During import the Tycho Eclipse providers must be installed.
Make sure the local clone of this repo is up to date using
git pull
Make sure all included plugins are up to date on https://3d-e-chem.github.io/updates or https://github.com/3D-e-Chem/3D-e-Chem.github.io/tree/master/updates
Learn current version by looking in ./pom.xml
file for the <version>x.y.z-SNAPSHOT</version>
tag.
Increase version. Increase minor version when KNIME node has been added or removed. Increase patch version when KNIME node has been updated. Use following command to update multiple xml files with the new version.
mvn org.eclipse.tycho:tycho-versions-plugin:set-version -DnewVersion=<new version>-SNAPSHOT
Commit changes
Update docs/4.3/
directory with new update site using
mvn install
Stage new files, commit and push changes.
git add docs/
git commit -a
git push
For major or minor release