📚 Update README.md

mbercx · mbercx · commit 8f3d5eac99a9 · 2023-06-08T19:44:10.000+02:00
Update the `README.md` instructions to the latest changes. Also includes a
minor change in the `init` command, which now uses the `default` input of the
`Prompt.ask` method. This means the user can simply press enter to use the
shell detected from the `SHELL` environment variable.
diff --git a/README.md b/README.md
@@ -6,46 +6,72 @@ Tool for managing AiiDA "projects" - Python environments tailored to AiiDA with
 |---|
 
 
-## Usage
-
+## Installation
 
-1. Easy to install globally via `pipx`:
+The package can be installed globally with `pipx`:
 
 ```console
-aiida@prnmarvelsrv3:~$ pipx install aiida-project
-  installed package aiida-project 0.3.0, Python 3.8.10
-  These binaries are now globally available
+pipx install aiida-project
+```
+```console
+  installed package aiida-project 0.4.0, installed using Python 3.9.16
+  These apps are now globally available
     - aiida-project
 done! ✨ 🌟 ✨
 ```
 
-2. Create projects with their own virtual environment, and immediately install `aiida-core` and the plugins you need:
+See the [`pipx` installation instructions](https://pypa.github.io/pipx/installation/) if you haven't already installed `pipx`.
+
+## Usage
+
+After installing `aiida-project`, run the `init` command to get started:
 
 ```console
-aiida@prnmarvelsrv3:~$ aiida-project create firstproject --plugins aiida-quantumespresso
-✨ Creating the project environment and directory.
-🔧 Adding the AiiDA environment variables to the activate script.
-✅ Success! Project created.
-💾 Installing the latest release of the AiiDA core module.
-💾 Installing aiida-quantumespresso
+aiida-project init
 ```
+```console
+👋 Hello there! Which shell are you using? [bash/zsh/fish] (zsh):
+
+✨🚀 AiiDA-project has been initialised! 🚀✨
+
+Info: For the changes to take effect, run the following command:
+
+    source /Users/mbercx/.zshrc
+
+or simply open a new terminal.
+```
+
+This will also add the `cda` function to your shell startup file, so you can easily switch projects.
+Note that you'll have to source your e.g. `.zshrc` file for this function to be accessible!
+
+### `create`
 
-3. Supports virtualenv for now, integrated with virtualenvwrapper (`conda`/`mamba` support coming soon!):
+After initialising, you can create new projects with their own virtual environment and project directory using the `create` command.
+The latest version of `aiida-core` will also be installed automatically, along with any plugins you specify with the `--plugin` option:
 
 ```console
-aiida@prnmarvelsrv3:~$ workon firstproject
+aiida-project create firstproject --plugin aiida-quantumespresso
+```
+```console
+✨ Creating the project directory and environment using the Python binary:
+   /opt/homebrew/Cellar/python@3.11/3.11.3/Frameworks/Python.framework/Versions/3.11/bin/python3.11
+🔧 Adding the AiiDA environment variables to the activate script.
+✅ Success: Project created.
+💾 Installing the latest release of the AiiDA core module.
+💾 Installing `aiida-quantumespresso` from the PyPI.
 ```
 
-4. Automatically sets some typical AiiDA UNIX environment variables, like AIIDA_PATH and the shell completion (bash for now, `zsh`/`fish` support coming soon!):
+You can then activate the project using the `cda` command described above:
 
 ```console
-(firstproject) aiida@prnmarvelsrv3:~$ cd $AIIDA_PATH
+cda firstproject
 ```
 
-5. Automatically sets up a well-organised directory structure, which can be configured globally:
+Next to activating the Python virtual environment, this will also change the directory to the one for the project.
+`aiida-project` automatically sets up a directory structure, which we intend to be made configurable globally:
 
 ```console
-(firstproject) aiida@prnmarvelsrv3:~/project/firstproject$ tree -a
+(firstproject) ~/project/firstproject$ tree -a
 .
 ├── .aiida
 │   ├── access
@@ -61,7 +87,62 @@ aiida@prnmarvelsrv3:~$ workon firstproject
 9 directories, 1 file
 ```
 
-6. For now it just installs AiiDA and plugins, but in the future we want it to be able to also automatically set up the AiiDA database, repository and default profile.
+**Note:** You may not have the [`tree`](https://en.wikipedia.org/wiki/Tree_(command)) command installed on your system.
+
+### `destroy`
+
+Projects can be cleaned up by using `aiida-project destroy`.
+First `deactivate` the environment:
+
+```console
+deactivate firstproject
+```
+
+Next you can run the `destroy` command:
+
+```console
+aiida-project destroy firstproject
+```
+```console
+❗️ Are you sure you want to delete the entire firstproject project? This cannot be undone! [y/N]: y
+Succes: Project with name firstproject has been destroyed.
+```
+
+This will remove both the virtual environment, as well as the whole project folder:
+
+```console
+~/project$ tree -a
+.
+└── .aiida_projects
+    ├── conda
+    └── virtualenv
+
+3 directories, 0 files
+```
+
+## Other features
+
+### `virtualenvwrapper` integration
+
+If you are already using `virtualenvwrapper`, the virtual environments will be installed in the same directory as the one used by `virtualenvwrapper` (i.e. `$WORKON_HOME`).
+So you can then also use the
+
+```console
+aiida@prnmarvelsrv3:~$ workon firstproject
+```
+
+### Environment configuration
+
+Automatically sets some typical AiiDA UNIX environment variables, like AIIDA_PATH and the shell completion (`bash`/`zsh` for now, `fish` support coming soon!):
+
+```console
+$ echo $AIIDA_PATH
+/Users/mbercx/project/firstproject
+```
+
+## Future goals
+
+* For now it just installs AiiDA and plugins, but in the future we want it to be able to also automatically set up the AiiDA database, repository and default profile.
 
 ```console
 (firstproject) aiida@prnmarvelsrv3:~/project/firstproject$ verdi status
@@ -71,7 +152,7 @@ aiida@prnmarvelsrv3:~$ workon firstproject
 Report: Configure a profile by running `verdi quicksetup` or `verdi setup`.
 ```
 
-7. Projects are pydantic data models, and are stored as JSON in the .aiida_projects directory. Over time it should be possible to completely regenerate a project based on this file, but that’s still a work in progress:
+* Projects are pydantic data models, and are stored as JSON in the .aiida_projects directory. Over time it should be possible to completely regenerate a project based on this file, but that’s still a work in progress:
 
 ```console
 (firstproject) aiida@prnmarvelsrv3:~/project/firstproject$ cd ..
@@ -83,17 +164,3 @@ Report: Configure a profile by running `verdi quicksetup` or `verdi setup`.
 
 2 directories, 1 file
 ```
-
-8. Projects can be cleaned up by using `aiida-project destroy`:
-
-```console
-(firstproject) aiida@prnmarvelsrv3:~/project$ aiida-project destroy firstproject
-Are you sure you want to delete the entire firstproject project? This cannot be undone! [y/N]: y
-(firstproject) aiida@prnmarvelsrv3:~/project$ tree -a
-.
-└── .aiida_projects
-    ├── conda
-    └── virtualenv
-
-3 directories, 0 files
-```
diff --git a/aiida_project/commands/main.py b/aiida_project/commands/main.py
@@ -48,10 +48,12 @@ def init(shell: Optional[ShellType] = None):
 
     if not shell_str:
         shell_str = os.environ.get("SHELL")
+        detected_shell = shell_str.split("/")[-1] if shell_str else None
         prompt_message = "👋 Hello there! Which shell are you using?"
-        prompt_message += f" [blue]({shell_str.split('/')[-1]} detected)" if shell_str else ""
         shell_str = prompt.Prompt.ask(
-            prompt=prompt_message, choices=[shell_type.value for shell_type in ShellType]
+            prompt=prompt_message,
+            choices=[shell_type.value for shell_type in ShellType],
+            default=detected_shell,
         )
 
     if shell_str == "fish":
