Lux cli

mpcontribs-lux/README.md

@@ -42,3 +42,47 @@ print(pydantic_model.schema())
 
 The test suite for MPContribs-lux will automatically test your `pydantic` models for arrow/parquet compatibility using the [arrowize](https://github.com/materialsproject/emmet/blob/74194bbf8c7b32ce15141bb1c9ee0527a0fc6c45/emmet-core/emmet/core/arrow.py#L40) utility from `emmet-core` (MP's production data model and data pipeline repository).
 Schemas submitted to MPContribs-lux do not necessarily need to be parquet/arrow compatlible, the `@arrow_incompatible` decorator from `emmet-core`'s [utils](https://github.com/materialsproject/emmet/blob/74194bbf8c7b32ce15141bb1c9ee0527a0fc6c45/emmet-core/emmet/core/utils.py#L104) module can be used to mark a `pydantic` model to be skipped during arrow compatibility testing.
+
+### Quickstart from the Command Line Interface (CLI)
+
+For this approach, `pip install -e 'mpcontribs-lux[cli]'` to first obtain a few extra dependencies needed to run the CLI.
+Once done, run the CLI with `lux project scaffold` in the `MPContribs` directory.
+
+<details>
+<summary>
+This will start a series of prompts asking how to structure your project:
+</summary>
+
+```shell
+/path/to/MPContribs > lux project scaffold
+Name space for user project: JohnDoe
+Structure of user project [directory, module]: module
+Project names to scaffold in user project name space (space-separated list): project-1 project-2 project-3
+Include analysis module? [y/N]: y
+Include pipeline module? [y/N]: n
+Include project README.md? [y/N]: y
+Include file for extra python requirements/libraries? [y/N]: y
+The following project scaffold will be created in 'mpcontribs-lux.mpcontribs.projects':
+ JohnDoe
+├──  project-1
+│   ├── __init__.py
+│   ├── analysis_1.py
+│   ├── pip-extra-requirements.txt
+│   ├── README.md
+│   └── schema_1.py
+├──  project-2
+│   ├── __init__.py
+│   ├── analysis_1.py
+│   ├── pip-extra-requirements.txt
+│   ├── README.md
+│   └── schema_1.py
+└──  project-3
+    ├── __init__.py
+    ├── analysis_1.py
+    ├── pip-extra-requirements.txt
+    ├── README.md
+    └── schema_1.py
+Proceed? y/N [y/N]:
+```
+
+</details>

mpcontribs-lux/mpcontribs/lux/cli/display/tree.py

@@ -0,0 +1,67 @@
+import pathlib
+import tempfile
+
+from rich import print
+from rich.markup import escape
+from rich.text import Text
+from rich.tree import Tree
+
+from mpcontribs.lux.cli.project.utils import build_scaffold
+
+
+# github.com/textualize/rich/blob/master/examples/tree.py
+def walk_directory(directory: pathlib.Path, tree: Tree) -> None:
+    """Recursively build a Tree with directory contents."""
+    paths = sorted(
+        pathlib.Path(directory).iterdir(),
+        key=lambda path: (path.is_file(), path.name.lower()),
+    )
+    for path in paths:
+        if path.name.startswith("."):
+            continue
+        if path.is_dir():
+            style = "dim" if path.name.startswith("__") else ""
+            branch = tree.add(
+                f"[bold bright_blue] [link file://{path}]{escape(path.name)}",
+                style=style,
+                guide_style=style,
+            )
+            walk_directory(path, branch)
+        else:
+            text_filename = Text(path.name, "white")
+            text_filename.stylize(f"link file://{path}")
+            tree.add(text_filename)
+
+
+def visualize_scaffold(
+    user_space: str,
+    projects: set[str],
+    structure: str,
+    include_analysis: bool,
+    include_pipeline: bool,
+    include_readme: bool,
+    extra_reqs: bool,
+):
+    tree = Tree(
+        f"[bold bright_blue] [link file://{user_space}]{user_space}",
+        guide_style="white",
+    )
+
+    user_space_root = pathlib.Path(__file__).parent.parent.parent.joinpath(
+        "projects", user_space
+    )
+
+    with tempfile.TemporaryDirectory(prefix=str(user_space_root)) as tmpdir:
+        build_scaffold(
+            pathlib.Path(tmpdir),
+            user_space,
+            projects,
+            structure,
+            include_analysis,
+            include_pipeline,
+            include_readme,
+            extra_reqs,
+        )
+
+        walk_directory(pathlib.Path(tmpdir), tree)
+        print(tree)

mpcontribs-lux/mpcontribs/lux/cli/entry_point.py

@@ -0,0 +1,12 @@
+import click
+
+from mpcontribs.lux.cli.project import project
+from mpcontribs.lux.cli.schema import schema
+
+
+@click.group()
+def lux(): ...
+
+
+lux.add_command(project)
+lux.add_command(schema)

mpcontribs-lux/mpcontribs/lux/cli/project/__init__.py

@@ -0,0 +1,10 @@
+import click
+
+from mpcontribs.lux.cli.project.scaffold import scaffold
+
+
+@click.group()
+def project(): ...
+
+
+project.add_command(scaffold)

mpcontribs-lux/mpcontribs/lux/cli/project/scaffold.py

@@ -0,0 +1,72 @@
+import pathlib
+
+import click
+
+from mpcontribs.lux.cli.display.tree import visualize_scaffold
+from mpcontribs.lux.cli.project.utils import build_scaffold
+
+
+@click.command()
+@click.option("--user-space", default=None)
+@click.option("--projects", multiple=True, default=None)
+@click.option("--structure", type=click.Choice(["directory", "module"]), default=None)
+@click.option("--include-analysis", is_flag=True, default=True)
+@click.option("--include-pipeline", is_flag=True, default=True)
+@click.option("--include-readme", is_flag=True, default=True)
+@click.option("--extra-reqs", is_flag=True, default=True)
+def scaffold(
+    user_space,
+    projects,
+    structure,
+    include_analysis,
+    include_pipeline,
+    include_readme,
+    extra_reqs,
+):
+    if any([not x for x in (user_space, structure, projects)]):
+        user_space = click.prompt("Name space for user project")
+        structure = click.prompt("Structure of user project [directory, module]")
+        projects = click.prompt(
+            "Project names to scaffold in user project name space (space-separated list)"
+        ).split(" ")
+        include_analysis = click.confirm("Include analysis module?")
+        include_pipeline = click.confirm("Include pipeline module?")
+        include_readme = click.confirm("Include project README.md?")
+        extra_reqs = click.confirm(
+            "Include file for extra python requirements/libraries?"
+        )
+
+    projects = set(projects)
+
+    click.echo(
+        "The following project scaffold will be created in 'mpcontribs-lux.mpcontribs.projects':"
+    )
+    visualize_scaffold(
+        user_space,
+        projects,
+        structure,
+        include_analysis,
+        include_pipeline,
+        include_readme,
+        extra_reqs,
+    )
+    if click.confirm("Proceed? y/N", abort=True):
+        user_space_root = pathlib.Path(__file__).parent.parent.parent.joinpath(
+            "projects", user_space
+        )
+
+        user_space_root.mkdir()
+
+        build_scaffold(
+            user_space_root,
+            user_space,
+            projects,
+            structure,
+            include_analysis,
+            include_pipeline,
+            include_readme,
+            extra_reqs,
+        )
+        click.echo(
+            f"Project scaffold created at 'mpcontribs-lux.mpcontribs.projects.{user_space}'!"
+        )

mpcontribs-lux/mpcontribs/lux/cli/project/utils.py

@@ -0,0 +1,50 @@
+import pathlib
+
+
+def build_scaffold(
+    root,
+    user_space,
+    projects,
+    structure,
+    include_analysis,
+    include_pipeline,
+    include_readme,
+    extra_reqs,
+):
+    for proj in projects:
+        proj_dir = root / proj
+        proj_dir.mkdir()
+        pathlib.Path(proj_dir, "__init__.py").touch()
+
+        if include_readme:
+            pathlib.Path(proj_dir, "README.md").touch()
+        if extra_reqs:
+            pathlib.Path(proj_dir, "pip-extra-requirements.txt").touch()
+
+        match structure:
+            case "directory":
+                schema_dir = pathlib.Path(proj_dir) / "schemas"
+                schema_dir.mkdir()
+                pathlib.Path(schema_dir, "__init__.py").touch()
+                pathlib.Path(schema_dir, "schema_1.py").touch()
+
+                if include_analysis:
+                    analysis_dir = pathlib.Path(proj_dir) / "analysis"
+                    analysis_dir.mkdir()
+                    pathlib.Path(analysis_dir, "__init__.py").touch()
+                    pathlib.Path(analysis_dir, "analysis_1.py").touch()
+
+                if include_pipeline:
+                    pipeline_dir = pathlib.Path(proj_dir) / "pipelines"
+                    pipeline_dir.mkdir()
+                    pathlib.Path(pipeline_dir, "__init__.py").touch()
+                    pathlib.Path(pipeline_dir, "pipeline_1.py").touch()
+
+            case "module":
+                pathlib.Path(proj_dir, "schema_1.py").touch()
+
+                if include_analysis:
+                    pathlib.Path(proj_dir, "analysis_1.py").touch()
+
+                if include_pipeline:
+                    pathlib.Path(proj_dir, "pipeline_1.py").touch()

mpcontribs-lux/mpcontribs/lux/cli/schema/__init__.py

@@ -0,0 +1,11 @@
+import click
+
+from mpcontribs.lux.cli.schema.autogen import autogen
+
+
+@click.group()
+def schema():
+    pass
+
+
+schema.add_command(autogen)

mpcontribs-lux/mpcontribs/lux/cli/schema/autogen.py

@@ -0,0 +1,7 @@
+import click
+
+
+@click.command()
+def autogen():
+    # TODO: SchemaGenerator(file).pydantic_schema from --file, write output to --output-file (?)
+    ...

mpcontribs-lux/pyproject.toml

@@ -35,7 +35,14 @@ authors = [
 Homepage = "https://github.com/materialsproject/MPContribs"
 Documentation = "https://docs.materialsproject.org/services/mpcontribs"
 
+[project.scripts]
+lux = "mpcontribs.lux.cli.entry_point:lux"
+
 [project.optional-dependencies]
+cli = [
+    "click",
+    "rich",
+]
 test = [
     "pre-commit",
     "pytest",