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21 changes: 11 additions & 10 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -18,13 +18,13 @@ The code is organized as follows:
├── icons
│ └── icon.png
├── src
── __init.py__
── __init.py__
│ └── extension.py
├── demos
│ └── demo-chemistry-python-adapter.knwf
├── tests
│ ├── test
── conftest.py
── conftest.py
│ └── test_extension.py
├── knime.yml
├── pixi.toml
Expand All @@ -49,20 +49,21 @@ You can find general instructions on how to work with our code or develop python
1. **Clone** this repository or use it as a **template** (click on the green "Use this template" button).
2. **Edit** `knime.yml` to provide your metadata, license, etc. The last two lines of this file indicate that the extension created with this repository depends on the KNIME Base Chemistry Types & Nodes and the RDKit extensions.
3. **Modify** the `src/extension.py` file or **add** further files to implement your own logic. Note that every py file equivalent to one node needs to be imported in the init.py file.
4. _(Optional)_ Add python packages to the environment with the following command, or by manually editing the `pixi.toml` file:
4. **Install** the python environment:
```bash
pixi add <package_name>
pixi install
```
If you leave the `pixi.toml` file unchanged, the Python environment that you will create in the next step will have the RDKit package installed per default.
5. **Install** the python environment:
This will install the Python environment as defined in the `pixi.toml` file. If you leave this file unchanged, the Python environment that is installed will have the RDKit package installed per default.
5. _(Optional)_ Add python packages to the environment with the following command, or by manually editing the `pixi.toml` file:
```bash
pixi install
pixi add <package_name>
```
6. **Test** the extension in the KNIME Analytics Platform with the extension in debug mode by adding the following line to the `knime.ini` file (adjust <path_to_this_repository> in the `config.yml`):
Note that you have to run the `pixi install` command again after manually editing the `pixi.toml` file.
6. **Install** the extension in debug mode in your KNIME Analytics Platformby running the following command:
```
-Dknime.python.extension.config=<path/to/your/config.yml>
pixi run register-debug-in-knime
```
This will start the KNIME Analytics Platform with your extension installed. You can now test your extension in the KNIME Analytics Platform (e.g. demo workflow).
Previously this step required modifying the `config.yml`and `knime.ini` files manually. This improvement will allow you to select your KNIME Analytics Platform installation and append the `-Dknime.python.extension.debug_knime_yaml_list=<path/to/your/knime.yml>` argument automatically to the according `knime.ini` file. You can now test your extension in the KNIME Analytics Platform (e.g. demo workflow).
7. **Bundle** your extension:
```bash
pixi run build
Expand Down
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