fix materialize bug; fix docker; improve readme; cleanup

README.md

@@ -1,39 +1,70 @@
-# Voilà template for Materials Cloud  
-
-This is the Voilà template for the Materials Cloud project.
-
-It implements the standard Materials Cloud header and CSS.
-
-The template is called `materialscloud` and can be invoked either by using the `--template=materialscloud` `voila` CLI option, setting it explicitly in a Notebook's metadata or in a Jupyter config file.
-See [the Voilà documentation](https://voila.readthedocs.io/en/stable/customize.html#controlling-the-nbconvert-template) on how to invoke templates for more information.
+# Voilà template for Materials Cloud
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/materialscloud-org/voila-materialscloud-template/develop?urlpath=%2Fvoila%2Frender%2Fexample-notebooks%2Fexample.ipynb)
 
-## Try it with Binder!
+This is the Voilà template for Materials Cloud, implements the standard header and CSS.
 
-[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/materialscloud-org/voila-materialscloud-template/develop?urlpath=%2Fvoila%2Frender%2Fexample-notebooks%2Fexample.ipynb)
+Three templates are provided:
+* `materialscloud-tool` - highlights the [WORK](https://www.materialscloud.org/work)/Tools section in the header/breadcrumbs.
+* `materialscloud-discover` - highlights the [DISCOVER](https://www.materialscloud.org/discover) section in the header/breadcrumbs.
+* `materialscloud-iframe` - just adds a simple "Hosted on Materials Cloud" note at the bottom.
 
 ## Installation
 
 ```bash
 pip install voila-materialscloud-template
 ```
 
-## Usage
+This installs the templates in the correct Jupyter path (using `copy_voila_template.py`).
 
-There are two different templates for deploying Voilà at Materials Cloud website, which are "materialscloud-tool" and "materialscloud-discover".
+## Usage
 
-At [Materials Cloud](https://materialscloud.org), the [WORK](https://www.materialscloud.org/work) section have a collection of simulation tools and services. To deploy such applications, one need use the "materialscloud-tool" template as:
+The main way is to use the `voila --template` option, e.g.:
 
 ```bash
 voila --template=materialscloud-tool example.ipynb
 ```
+Alternatively, you can write a `voila.json` file containing
+
+```json
+{
+  "VoilaConfiguration": {
+    "template": "materialscloud-tool"
+  },
+  ...
+}
+```
 
-In the [DISCOVER](https://www.materialscloud.org/discover) section, it shows curated research data with tailored visualizations. One need to use the "materialscloud-discover" template
-to deploy the apps.
+and passing its path with
 
 ```bash
-voila --template=materialscloud-discover example.ipynb
+voila --Voila.config_file_paths=<...> example.ipynb
 ```
 
+There are also other options, see [the Voilà documentation](https://voila.readthedocs.io/en/stable/customize.html#controlling-the-nbconvert-template) for more information.
+
+## Development
+
+Option 1:
+
+```bash
+pip install -e .[dev]
+```
+
+Note: this will copy the templates to the jupyter folder, and they need to be modified directly there or re-copied if new tests are required.
+
+Option 2:
+
+It's more convenient to use a docker container and rebuild after modification:
+
+```bash
+cd docker
+docker compose up --build
+```
+
+and access via `http://localhost:8866/`. The template and other voila configuration is specified in `voila.json`.
+
+Note: maybe there is an easier setup, e.g. with live-reload or similar.
+
 ## License
 
 This repository and all files in it are licensed under the [BSD license](LICENSE), copyright (c) by Voilà contributors.

docker/Dockerfile

@@ -1,6 +1,11 @@
-FROM python:3.8
+FROM python:3.9
 
 WORKDIR /home/voila
 
 COPY requirements.txt .
 RUN pip install -r requirements.txt
+
+COPY requirements_dev.txt .
+RUN pip install -r requirements_dev.txt
+
+EXPOSE 8866

docker/docker-compose.yml

@@ -13,5 +13,5 @@ services:
       - ../share/jupyter/nbconvert/templates:/root/.local/share/jupyter/nbconvert/templates
       - ../example-notebooks:/home/voila/example-notebooks
     ports:
-      - 8866:8866
-    command: "voila --Voila.config_file_paths=/home/voila/example-notebooks/ --debug example-notebooks"
+      - "8866:8866"
+    command: "voila  --Voila.ip='0.0.0.0' --Voila.config_file_paths=/home/voila/example-notebooks/ --debug example-notebooks"

example-notebooks/example.ipynb

@@ -189,15 +189,6 @@
     "button_noble"
    ]
   },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "This work has been done with the support of the EPFL Open Science Fund [OSSCAR](http://www.osscar.org).\n",
-    "\n",
-    "<img src=\"https://www.osscar.org/_images/logos.png\" style=\"height:80px\"/>"
-   ]
-  },
   {
    "cell_type": "code",
    "execution_count": null,

requirements.txt

@@ -1,5 +1,2 @@
-invoke==2.2.0
-ipywidgets==8.1.0
-voila==0.5.2
-jupyter-core==5.3.1
-widget-periodictable==3.1.1
+voila~=0.4.4
+jupyter-core~=5.3.1

requirements_dev.txt

@@ -1,4 +1,5 @@
 invoke~=2.2
 ipywidgets~=8.1
 pylint~=2.17
-widget-periodictable~=3.1
+jupyterlab~=4.0
+widget-periodictable~=4.1

setup.py

@@ -33,7 +33,7 @@ def run(self):
 with open(TOP_DIR.joinpath("README.md")) as handle:
     README = handle.read()
 
-with open(TOP_DIR.joinpath("requirements_base.txt")) as handle:
+with open(TOP_DIR.joinpath("requirements.txt")) as handle:
     REQUIREMENTS_BASE = [f"{_.strip()}" for _ in handle.readlines() if " " not in _]
 
 with open(TOP_DIR.joinpath("requirements_dev.txt")) as handle: