Merge pull request #186 from proxystore/issue-140-rebased

Add physics app based on Globus Compute golf demo

docs/apps/index.md

@@ -16,6 +16,7 @@ These applications, summarized below, span many domains, datasets, and structure
 | [MapReduce](mapreduce.md)             | Text Analysis    | Python Functions | File, In-memory  |
 | [Molecular Design](moldesign.md)      | Molecular Design | Python Functions | In-memory        |
 | [Montage](montage.md)                 | Astronomy        | Executable       | File             |
+| [Physics](physics.md)                 | Physics          | Python Functions | In-memory        |
 | [Synthetic](synthetic.md)             | N/A              | Python Functions | In-memory        |
 
 Check out the application specific guides for more information and instructions.

docs/apps/physics.md

@@ -0,0 +1,24 @@
+# Physics Simulations
+
+This application is modified from the [Globus Compute Golf Demo](https://github.com/globus-labs/globus-compute-golf-demo){target=_blank}.
+
+Simulates the physics of golf balls landing on a randomly generated golf green using perlin noise for terrain generation and [pybullet3](https://github.com/bulletphysics/bullet3){target=_blank} for physics simulations.
+This application is embarrassingly parallel---every ball is simulated in its own task.
+
+## Installation
+
+This application requires numpy, matplotlib, scipy, and pybullet3 which can be installed automatically when installing the TaPS package.
+```bash
+pip install -e .[physics]
+```
+
+## Example
+
+The following command simulated 32 balls where each ball is simulated in a separate task.
+```bash
+python -m taps.run --app physics --app.simulations 32 --engine.executor process-pool
+```
+The initial and final ball positions are plotted and saved to `{run_dir}/images/`.
+By default, the simulations run at "real time".
+I.e., sleeps are added at each timestep to ensure timesteps take as long as they would in real life.
+This can be disabled with `--app.real-time false`.

mkdocs.yml

@@ -115,6 +115,7 @@ nav:
       - MapReduce: apps/mapreduce.md
       - Molecular Design: apps/moldesign.md
       - Montage: apps/montage.md
+      - Physics: apps/physics.md
       - Synthetic: apps/synthetic.md
   - Guides:
       - guides/index.md

pyproject.toml

@@ -43,6 +43,7 @@ docking = ["numpy", "pandas", "requests", "scikit-learn", "rdkit"]
 fedlearn = ["numpy", "torch", "torchvision"]
 moldesign = ["ase", "matplotlib", "numpy", "pandas", "rdkit==2023.9.6", "scikit-learn", "tqdm"]
 montage = ["montage_wrapper", "pandas"]
+physics = ["matplotlib", "noise", "numpy<2", "pybullet", "scipy"]
 dev = [
     "taps[cholesky,montage]",
     "covdefaults>=2.2",
@@ -87,6 +88,7 @@ omit = [
     "taps/apps/docking/*",
     "taps/apps/fedlearn/*",
     "taps/apps/moldesign/*",
+    "taps/apps/physics.py",
 ]
 parallel = true
 

taps/apps/configs/physics.py

@@ -0,0 +1,88 @@
+from __future__ import annotations
+
+from typing import Literal
+from typing import Optional
+
+from pydantic import Field
+
+from taps.apps import App
+from taps.apps import AppConfig
+from taps.plugins import register
+
+
+@register('app')
+class PhysicsConfig(AppConfig):
+    """Physics application configuration."""
+
+    name: Literal['physics'] = Field(
+        'physics',
+        description='Application name.',
+    )
+    simulations: int = Field(description='Number of parallel simulations.')
+    ball_diameter: float = Field(
+        0.2,
+        description='Golf ball diameter in meters.',
+    )
+    ball_mass: float = Field(0.05, description='Golf ball mass in kilograms.')
+    tick_rate: int = Field(240, description='Simulation steps per seconds.')
+    total_time: int = Field(10, description='Simulation runtime in seconds.')
+    real_time: bool = Field(True, description='Simulate at real time.')
+    seed: Optional[int] = Field(None, description='Random seed.')  # noqa: UP007
+    terrain_width: int = Field(
+        20,
+        description='Terrain width/length in meters.',
+    )
+    terrain_height: int = Field(3, description='Terrain max height in meters.')
+    terrain_resolution: int = Field(
+        10,
+        description='Terrain vertices per meter.',
+    )
+    terrain_scale: float = Field(
+        10.0,
+        description='Noise map scale (how far away map is viewed from).',
+    )
+    terrain_octaves: int = Field(3, description='Detail level in noise map.')
+    terrain_persistence: float = Field(
+        0.2,
+        description='Octave contributions (amplitude).',
+    )
+    terrain_lacunarity: float = Field(
+        2.0,
+        description='Detail added/removed at each octave (frequency).',
+    )
+    terrain_filter_size: int = Field(
+        2,
+        description='Terrain smoothing filter size.',
+    )
+
+    def get_app(self) -> App:
+        """Create an application instance from the config."""
+        from taps.apps.physics import PhysicsApp
+        from taps.apps.physics import SimulationConfig
+        from taps.apps.physics import TerrainConfig
+
+        terrain = TerrainConfig(
+            width=self.terrain_width,
+            height=self.terrain_height,
+            resolution=self.terrain_resolution,
+            scale=self.terrain_scale,
+            octaves=self.terrain_octaves,
+            persistence=self.terrain_persistence,
+            lacunarity=self.terrain_lacunarity,
+            filter_size=self.terrain_filter_size,
+        )
+
+        simulation = SimulationConfig(
+            ball_diameter=self.ball_diameter,
+            ball_mass=self.ball_mass,
+            tick_rate=self.tick_rate,
+            total_time=self.total_time,
+            real_time=self.real_time,
+        )
+
+        return PhysicsApp(
+            num_simulations=self.simulations,
+            terrain=terrain,
+            simulation=simulation,
+            seed=self.seed,
+        )