build PyPIConGPu and PICMI interfaces

lib/python/picongpu/picmi/requirements.txt

@@ -4,4 +4,5 @@ sympy >= 1.9
 chevron >= 0.13.1
 jsonschema == 4.17.3
 scipy >= 1.7.1
+pydantic >= 2.6.4
 picmistandard >= 0.27.0

lib/python/picongpu/picmi/simulation.py

@@ -1,11 +1,11 @@
 """
 This file is part of the PIConGPU.
-Copyright 2021-2023 PIConGPU contributors
+Copyright 2021-2024 PIConGPU contributors
 Authors: Hannes Troepgen, Brian Edward Marre
 License: GPLv3+
 """
 
-from ..pypicongpu import simulation, runner, util, species
+from ..pypicongpu import simulation, runner, util, species, movingwindow
 from . import constants
 from .grid import Cartesian3DGrid
 from .species import Species as PicongpuPicmiSpecies
@@ -99,6 +99,8 @@ def __init__(
         self,
         picongpu_template_dir: typing.Optional[typing.Union[str, pathlib.Path]] = None,
         picongpu_typical_ppc: typing.Optional[int] = None,
+        picongpu_moving_window_move_point: typing.Optional[float] = None,
+        picongpu_moving_window_stop_iteration: typing.Optional[int] = None,
         **kw,
     ):
         # delegate actual work to parent
@@ -119,6 +121,9 @@ def __init__(
             assert template_path.is_dir(), "picongpu_template_dir must be existing dir"
             self.picongpu_template_dir = str(template_path)
 
+        self.moving_window_move_point = picongpu_moving_window_move_point
+        self.moving_window_stop_iteration = picongpu_moving_window_stop_iteration
+
         self.picongpu_typical_ppc = picongpu_typical_ppc
 
         # store runner state
@@ -441,6 +446,13 @@ def get_as_pypicongpu(self) -> simulation.Simulation:
         # todo: check grid compatibility
         s.grid = self.solver.grid.get_as_pypicongpu()
 
+        if self.moving_window_move_point is None:
+            s.moving_window = None
+        else:
+            s.moving_window = movingwindow.MovingWindow(
+                move_point=self.moving_window_move_point, stop_iteration=self.moving_window_stop_iteration
+            )
+
         # any injection method != None is not supported
         if len(self.laser_injection_methods) != self.laser_injection_methods.count(None):
             util.unsupported("laser injection method", self.laser_injection_methods, [])

lib/python/picongpu/pypicongpu/movingwindow.py

@@ -0,0 +1,36 @@
+"""
+This file is part of the PIConGPU.
+Copyright 2024 PIConGPU contributors
+Authors: Brian Edward Marre
+License: GPLv3+
+"""
+
+import pydantic
+import typing
+
+from .rendering import RenderedObject
+
+
+class MovingWindow(RenderedObject, pydantic.BaseModel):
+    move_point: float
+    """
+    point a light ray reaches in y from the left border until we begin sliding the simulation window with the speed of
+    light
+
+    in multiples of the simulation window size
+
+    @attention if moving window is active, one gpu in y direction is reserved for initializing new spaces,
+        thereby reducing the simulation window size according
+    """
+
+    stop_iteration: typing.Optional[int]
+    """iteration, at which to stop moving the simulation window"""
+
+    def check(self) -> None:
+        if self.move_point < 0.0:
+            raise ValueError("window_move point must be >= 0.")
+        if self.stop_iteration <= 0:
+            raise ValueError("stop iteration must be > 0.")
+
+    def _get_serialized(self) -> dict:
+        return {"move_point": self.move_point, "stop_iteration": self.stop_iteration}

lib/python/picongpu/pypicongpu/simulation.py

@@ -7,6 +7,7 @@
 
 from .grid import Grid3D
 from .laser import GaussianLaser
+from .movingwindow import MovingWindow
 from .solver import Solver
 from . import species
 from . import util
@@ -62,6 +63,9 @@ class Simulation(RenderedObject):
     @attention custom user input is global to the simulation
     """
 
+    moving_window = util.build_typesafe_property(typing.Optional[MovingWindow])
+    """used moving Window, set to None to disable"""
+
     def __get_output_context(self) -> dict:
         """retrieve all output objects"""
         auto = output.Auto()
@@ -129,6 +133,11 @@ def _get_serialized(self) -> dict:
         else:
             serialized["laser"] = None
 
+        if self.moving_window is not None:
+            serialized["moving_window"] = self.moving_window.get_rendering_context()
+        else:
+            serialized["moving_window"] = None
+
         if self.custom_user_input is not None:
             serialized["customuserinput"] = self.__render_custom_user_input_list()
             self.__foundCustomInput(serialized)

share/ci/pypicongpu_generator.py

@@ -293,6 +293,7 @@ def print_job_yaml(test_pkg_versions: Dict[str, List[str]]):
     "typeguard": get_all_major_pypi_versions,
     "jsonschema": get_all_pypi_versions,  # @todo change back, Brian Marre, 2023
     "picmistandard": get_all_pypi_versions,
+    "pydantic": get_all_major_pypi_versions,
 }
 
 if __name__ == "__main__":

share/picongpu/pypicongpu/schema/movingwindow.MovingWindow.json

@@ -0,0 +1,24 @@
+{
+    "$id": "https://registry.hzdr.de/crp/picongpu/schema/picongpu.pypicongpu.movingwindow.MovingWindow",
+    "type": "object",
+    "description": "moving window setting of picongpu",
+    "unevaluatedProperties": false,
+    "required": ["move_point", "stop_iteration"],
+    "properties": {
+        "move_point": {
+            "type": "number",
+            "minimum" : 0
+        },
+        "stop_iteration": {
+            "anyOf": [
+                {
+                    "type": "null"
+                },
+                {
+                    "type": "integer",
+                    "exclusiveMinimum" : 0
+                }
+            ]
+        }
+    }
+}

share/picongpu/pypicongpu/schema/simulation.Simulation.json

@@ -33,13 +33,13 @@
                 }
             ]
         },
-        "moving_window_velocity": {
+        "moving_window": {
             "anyOf": [
                 {
                     "type": "null"
                 },
                 {
-                    "$ref": "https://registry.hzdr.de/crp/picongpu/schema/picongpu.pypicongpu.movingWindowVelocity"
+                    "$ref": "https://registry.hzdr.de/crp/picongpu/schema/picongpu.pypicongpu.movingwindow.MovingWindow"
                 }
             ]
         },
@@ -81,7 +81,7 @@
         "solver",
         "grid",
         "laser",
-        "moving_window_velocity",
+        "moving_window",
         "customuserinput"
     ],
     "unevaluatedProperties": false

share/picongpu/pypicongpu/template/etc/picongpu/N.cfg.mustache

@@ -1,4 +1,5 @@
-# Copyright 2013-2023 Axel Huebl, Rene Widera, Felix Schmitt, Franz Poeschel
+# Copyright 2013-2023 Axel Huebl, Rene Widera, Felix Schmitt, Franz Poeschel,
+#                     Hannes Tropegen, Brian Marre
 #
 # This file is part of PIConGPU.
 #
@@ -60,15 +61,13 @@ TBG_wallTime="1:00:00"
 
 TBG_steps="{{{time_steps}}}"
 
-{{#grid.boundary_condition}}
-  TBG_periodic="--periodic {{{x}}} {{{y}}} {{{z}}}"
-{{/grid.boundary_condition}}
-
-
 #################################
 ## Section: Optional Variables ##
 #################################
 
+{{#grid.boundary_condition}}
+  TBG_periodic="--periodic {{{x}}} {{{y}}} {{{z}}}"
+{{/grid.boundary_condition}}
 
 {{#output.auto}}
 # only use charge conservation if solver is yee AND using cuda backend
@@ -80,6 +79,14 @@ else
 fi
 {{/output.auto}}
 
+{{#moving_window}}
+  TBG_movingWindow="-m"
+  TBG_windowMovePoint="--windowMovePoint {{{move_point}}}"
+  {{#stop_iteration}}
+    TBG_stopWindow="--stopWindow {{{stop_iteration}}}"
+  {{/stop_iteration}}
+{{/moving_window}}
+
 pypicongpu_output_with_newlines="
     {{#output.auto}}
         --fields_energy.period {{{period}}}
@@ -114,23 +121,26 @@ TBG_pypicongpu_output=$(sed -z 's/\n/ /g' <<< "$pypicongpu_output_with_newlines"
 
 TBG_plugins="!TBG_pypicongpu_output"
 
+
+
 #################################
 ## Section: Program Parameters ##
 #################################
 
 TBG_deviceDist="!TBG_devices_x !TBG_devices_y !TBG_devices_z"
 
-TBG_programParams="
-{{#moving_window_velocity}}
-                   --moving_window_velocity_X = {{{x}}} \
-                   --moving_window_velocity_Y = {{{y}}} \
-                   --moving_window_velocity_Z = {{{z}}} \
-{{/moving_window_velocity}}
-                   -d !TBG_deviceDist \
-                   -g !TBG_gridSize   \
-                   -s !TBG_steps      \
-                   !TBG_periodic      \
-                   !TBG_plugins       \
+TBG_programParams="-d !TBG_deviceDist   \
+                   -g !TBG_gridSize     \
+                   -s !TBG_steps        \
+                   !TBG_periodic        \
+                   !TBG_plugins         \
+                {{#moving_window}}
+                   !TBG_movingWindow    \
+                   !TBG_windowMovePoint \
+                  {{#stop_iteration}}
+                   !TBG_stopWindow      \
+                  {{/stop_iteration}}
+                {{/moving_window}}
                    --versionOnce"
 
 # TOTAL number of devices

test/python/picongpu/compiling/simulation.py

@@ -8,7 +8,6 @@
 from picongpu import pypicongpu, picmi
 
 import typeguard
-
 import unittest
 import tempfile
 import os
@@ -29,6 +28,17 @@ def get_grid(delta_x: float, delta_y: float, delta_z: float, n: int):
 
 
 class TestSimulation(unittest.TestCase):
+    def _set_up_sim(self, **kw):
+        grid = picmi.Cartesian3DGrid(
+            number_of_cells=[192, 2048, 12],
+            lower_bound=[0, 0, 0],
+            upper_bound=[3.40992e-5, 9.07264e-5, 2.1312e-6],
+            lower_boundary_conditions=["open", "open", "periodic"],
+            upper_boundary_conditions=["open", "open", "periodic"],
+        )
+        solver = picmi.ElectromagneticSolver(method="Yee", grid=grid)
+        return picmi.Simulation(time_step_size=1.39e-16, max_steps=int(2048), solver=solver, **kw)
+
     def test_minimal(self):
         """smallest possible example"""
         sim = pypicongpu.Simulation()
@@ -48,6 +58,7 @@ def test_minimal(self):
         sim.grid.boundary_condition_z = pypicongpu.grid.BoundaryCondition.PERIODIC
         sim.laser = None
         sim.custom_user_input = None
+        sim.moving_window = None
         sim.solver = pypicongpu.solver.YeeSolver()
         sim.init_manager = pypicongpu.species.InitManager()
 
@@ -56,6 +67,12 @@ def test_minimal(self):
         runner.build()
         runner.run()
 
+    def test_moving_window(self):
+        picmi_sim = self._set_up_sim(picongpu_moving_window_move_point=0.9)
+        runner = pypicongpu.Runner(picmi_sim)
+        runner.generate(printDirToConsole=True)
+        runner.build()
+
     def test_custom_template_dir(self):
         """may pass custom template dir"""
 

test/python/picongpu/quick/picmi/simulation.py

@@ -342,6 +342,24 @@ def test_operation_momentum(self):
         )
         self.assertAlmostEqual(1.491037242289643, mom_op.drift.gamma)
 
+    def test_moving_window(self):
+        """test that the user may set moving window"""
+        grid = picmi.Cartesian3DGrid(
+            number_of_cells=[192, 2048, 12],
+            lower_bound=[0, 0, 0],
+            upper_bound=[3.40992e-5, 9.07264e-5, 2.1312e-6],
+            lower_boundary_conditions=["open", "open", "periodic"],
+            upper_boundary_conditions=["open", "open", "periodic"],
+        )
+        solver = picmi.ElectromagneticSolver(method="Yee", grid=grid)
+        sim = picmi.Simulation(
+            time_step_size=1.39e-16, max_steps=int(2048), solver=solver, picongpu_moving_window_move_point=0.9
+        )
+        pypic = sim.get_as_pypicongpu()
+
+        self.assertAlmostEqual(pypic.moving_window.move_point, 0.9)
+        self.assertEqual(pypic.moving_window.stop_iteration, None)
+
     def test_ionization_electron_explicit(self):
         """electrons for ionization can be specified explicitly"""
         # note: the difficulty here is preserving the PICMI- -> PICMI-object

test/python/picongpu/quick/pypicongpu/simulation.py

@@ -45,6 +45,7 @@ def setUp(self):
         self.s.solver = solver.YeeSolver()
         self.s.laser = None
         self.s.custom_user_input = None
+        self.s.moving_window = None
         self.s.init_manager = species.InitManager()
 
         self.laser = GaussianLaser()