PySDM 3.0.0rc13__tar.gz → 3.0.0rc17__tar.gz

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/.github/actions/env-setup/action.yml

@@ -43,6 +43,10 @@ runs:
             exit(0)
         EOF
       shell: bash
+    
+    - name: set NUMBA_THREADING_LAYER
+      run: echo NUMBA_THREADING_LAYER=workqueue >> $GITHUB_ENV
+      shell: bash
 
     - uses: actions/cache/save@v4
       if: steps.cache.outputs.cache-hit != 'true'

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/.github/workflows/readme_snippets.yml

@@ -23,7 +23,7 @@ jobs:
       - uses: actions/setup-python@v5.0.0
         with:
           python-version: "3.10"
-      - run: python -m pip install $PIP_INSTALL_ARGS -e .
+      - run: python -m pip install $PIP_INSTALL_ARGS -e .[CI_version_pins]
       - run: python -m pip install $PIP_INSTALL_ARGS pytest-codeblocks pytest
       - run: |
           python -c "import os,pytest_codeblocks; code=pytest_codeblocks.extract_from_file('docs/markdown/pysdm_landing.md'); f=open('readme.py', 'w', encoding='utf-8'); f.write('# coding: utf-8'+os.linesep); f.writelines(block.code for block in code if block.syntax=='Python'); f.close()"
@@ -48,7 +48,7 @@ jobs:
       - uses: actions/setup-python@v5.0.0
         with:
           python-version: "3.10"
-      - run: pip install -e .
+      - run: pip install -e .[CI_version_pins]
       - run: pip install pytest-codeblocks pytest
       - run: python -c "import pytest_codeblocks; code=pytest_codeblocks.extract_from_file('docs/markdown/pysdm_landing.md'); f=open('readme.jl', 'w'); f.writelines(block.code for block in code if block.syntax=='Julia'); f.close()"
       - uses: julia-actions/setup-julia@v2
@@ -66,9 +66,9 @@ jobs:
         with:
           python-version: "3.12"
 
-      - run: echo NUMBA_THREADING_LAYER=omp >> $GITHUB_ENV
+      - run: echo NUMBA_THREADING_LAYER=workqueue >> $GITHUB_ENV
 
-      - run: pip install -e .
+      - run: pip install -e .[CI_version_pins]
       - run: pip install pytest-codeblocks pytest
       - run: python -c "import pytest_codeblocks; code=pytest_codeblocks.extract_from_file('docs/markdown/pysdm_landing.md'); f=open('readme.m', 'w'); f.writelines(block.code for block in code if block.syntax=='Matlab'); f.close()"
       - run: cat -n readme.m

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/.github/workflows/tests.yml

@@ -84,7 +84,7 @@ jobs:
         pylint --max-module-lines=550 --unsafe-load-any-extension=y --disable=fixme,too-many-function-args,unsubscriptable-object,consider-using-with,protected-access,too-many-statements,too-many-public-methods,too-many-branches,duplicate-code,invalid-name,missing-function-docstring,missing-module-docstring,missing-class-docstring,too-many-locals,too-many-instance-attributes,too-few-public-methods,too-many-arguments,c-extension-no-member $(git ls-files '*.py' | grep ^examples)
     - run: |
         # TODO #682
-        nbqa pylint --unsafe-load-any-extension=y --disable=fixme,duplicate-code,invalid-name,trailing-whitespace,line-too-long,missing-function-docstring,wrong-import-position,missing-module-docstring,wrong-import-order,ungrouped-imports,no-member,too-many-locals,unnecessary-lambda-assignment $(git ls-files '*.ipynb')
+        nbqa pylint --unsafe-load-any-extension=y --disable=fixme,duplicate-code,invalid-name,trailing-whitespace,line-too-long,missing-function-docstring,wrong-import-position,missing-module-docstring,wrong-import-order,ungrouped-imports,no-member,too-many-locals,unnecessary-lambda-assignment,multiple-imports $(git ls-files '*.ipynb')
 
   unit-tests-without-jit-plus-codecov:
     needs: env-unit-tests-setup
@@ -109,7 +109,7 @@ jobs:
       run: |
         python -m pip install pytest-cov
         python -m pytest ${{ env.pytest_options }} tests/unit_tests --cov-report=xml --cov=PySDM
-    - uses: codecov/codecov-action@v4.5.0
+    - uses: codecov/codecov-action@v5.5.2
       with:
         fail_ci_if_error: true
         verbose: true
@@ -138,8 +138,6 @@ jobs:
         with:
           python-version: ${{ matrix.python-version }}
           setup-name: unit-tests-${{ matrix.platform }}-${{ matrix.python-version }}
-      - if: startsWith(matrix.platform, 'ubuntu-')
-        run: echo NUMBA_THREADING_LAYER=omp >> $GITHUB_ENV
       - name: Run pytest
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
@@ -199,9 +197,6 @@ jobs:
         with:
           python-version: ${{ matrix.python-version }}
           setup-name: nonunit-tests-${{ matrix.platform }}-${{ matrix.python-version }}
-
-      - if: startsWith(matrix.platform, 'ubuntu-')
-        run: echo NUMBA_THREADING_LAYER=omp >> $GITHUB_ENV
       - name: Run pytest
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
@@ -231,7 +226,10 @@ jobs:
         include:
           - platform: "macos-14"
             python-version: "3.12"
-            test-suite: "multi-process_a,multi-process_b,multi-process_d,multi-process_e"
+            test-suite: "multi-process_a,multi-process_b"
+          - platform: "macos-14"
+            python-version: "3.12"
+            test-suite: "multi-process_d,multi-process_e"
         exclude:
           - platform: "macos-14"
             test-suite: "multi-process_a"
@@ -243,7 +241,7 @@ jobs:
             test-suite: "multi-process_e"
       fail-fast: true
     runs-on: ${{ matrix.platform }}
-    timeout-minutes: ${{ startsWith(matrix.platform, 'windows-') && 28 || 30 }}
+    timeout-minutes: 30
     steps:
       - name: Debug contexts
         run: |
@@ -261,8 +259,6 @@ jobs:
           python-version: ${{ matrix.python-version }}
           setup-name: nonunit-tests-${{ matrix.platform }}-${{ matrix.python-version }}
           # https://github.com/numba/numba/issues/6350#issuecomment-728174860
-      - if: startsWith(matrix.platform, 'ubuntu-')
-        run: echo NUMBA_THREADING_LAYER=omp >> $GITHUB_ENV
 
       - if: startsWith(matrix.platform, 'ubuntu-') && (contains(matrix.test-suite, 'multi-process_a') || contains(matrix.test-suite, 'multi-process_b'))
         run: |

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/.pre-commit-config.yaml

@@ -28,3 +28,9 @@ repos:
     - id: detect-missing-init
       args: ['--create', "--track", "--python-folders", "tests,PySDM,examples/PySDM_examples"]
 
+  - repo: https://github.com/open-atmos/devops_tests
+    rev: v0.0.2
+    hooks:
+      - id: check-badges
+        name: check badges
+        args: [--fix-header, --repo-name=PySDM]

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pysdm
-Version: 3.0.0rc13
+Version: 3.0.0rc17
 Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
 Author-email: "https://github.com/open-atmos/PySDM/graphs/contributors" <sylwester.arabas@agh.edu.pl>
 License-Expression: GPL-3.0-only

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PySDM/attributes/isotopes/moles.py

@@ -18,7 +18,7 @@ derived attributes providing amounts of light isotopes in water (1H and 16O)
         ) / (2 * molar_mass_1H + molar_mass_16O)
 
         moles_1H = 2 * (moles_H2O + moles_17O + moles_18O) + moles_2H + moles_3H
-        moles_16O =  .5 * (moles_2H + moles_3H) + moles_H2O
+        moles_16O = moles_2H + moles_3H + moles_H2O
 """
 
 from PySDM.attributes.impl import DerivedAttribute, register_attribute
@@ -45,24 +45,15 @@ class Helper(DerivedAttribute):
 class MolesLightWater(Helper):
     def __init__(self, builder):
         const = builder.formulae.constants
-        M_H2O = 2 * const.M_1H + const.M_16O
         super().__init__(
             builder=builder,
             name="moles light water",
             attrs_to_multiplier={
-                builder.get_attribute("moles_2H"): -(
-                    const.M_1H * const.M_2H + const.M_16O
-                )
-                / M_H2O,
-                builder.get_attribute("moles_3H"): -(
-                    const.M_1H * const.M_3H + const.M_16O
-                )
-                / M_H2O,
-                builder.get_attribute("moles_17O"): -(2 * const.M_1H + const.M_17O)
-                / M_H2O,
-                builder.get_attribute("moles_18O"): -(2 * const.M_1H + const.M_18O)
-                / M_H2O,
-                builder.get_attribute("signed water mass"): 1 / M_H2O,
+                builder.get_attribute("moles_2H"): -const.M_2H_1H_16O / const.M_1H2_16O,
+                builder.get_attribute("moles_3H"): -const.M_3H_1H_16O / const.M_1H2_16O,
+                builder.get_attribute("moles_17O"): -const.M_1H2_17O / const.M_1H2_16O,
+                builder.get_attribute("moles_18O"): -const.M_1H2_18O / const.M_1H2_16O,
+                builder.get_attribute("signed water mass"): 1 / const.M_1H2_16O,
             },
         )
 
@@ -90,8 +81,8 @@ class Moles16O(Helper):
             builder=builder,
             name="moles_16O",
             attrs_to_multiplier={
-                builder.get_attribute("moles_2H"): 0.5,
-                builder.get_attribute("moles_3H"): 0.5,
+                builder.get_attribute("moles_2H"): 1.0,
+                builder.get_attribute("moles_3H"): 1.0,
                 builder.get_attribute("moles light water"): 1.0,
             },
         )

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PySDM/builder.py

@@ -3,7 +3,6 @@ The Builder class handling creation of  `PySDM.particulator.Particulator` instan
 """
 
 import inspect
-import warnings
 
 import numpy as np
 
@@ -17,13 +16,6 @@ from PySDM.particulator import Particulator
 from PySDM.physics.particle_shape_and_density import LiquidSpheres, MixedPhaseSpheres
 
 
-def _warn_env_as_ctor_arg():
-    warnings.warn(
-        "PySDM > v2.31 Builder expects environment instance as argument",
-        DeprecationWarning,
-    )
-
-
 class Builder:
     def __init__(self, n_sd, backend, environment=None):
         assert not inspect.isclass(backend)
@@ -33,24 +25,11 @@ class Builder:
         self.req_attr = None
         self.aerosol_radius_threshold = 0
         self.condensation_params = None
-
-        if environment is None:
-            _warn_env_as_ctor_arg()
-        else:
-            self._set_environment(environment)
+        self.particulator.environment = environment.instantiate(builder=self)
 
     def _set_condensation_parameters(self, **kwargs):
         self.condensation_params = kwargs
 
-    def set_environment(self, environment):
-        _warn_env_as_ctor_arg()
-        self._set_environment(environment)
-
-    def _set_environment(self, environment):
-        if self.particulator.environment is not None:
-            raise AssertionError("environment has already been set")
-        self.particulator.environment = environment.instantiate(builder=self)
-
     def add_dynamic(self, dynamic):
         assert self.particulator.environment is not None
         key = inspect.getmro(type(dynamic))[-2].__name__
@@ -94,14 +73,6 @@ class Builder:
     ):
         assert self.particulator.environment is not None
 
-        if "n" in attributes and "multiplicity" not in attributes:
-            attributes["multiplicity"] = attributes["n"]
-            del attributes["n"]
-            warnings.warn(
-                'renaming attributes["n"] to attributes["multiplicity"]',
-                DeprecationWarning,
-            )
-
         if "volume" in attributes and "water mass" not in attributes:
             assert self.particulator.formulae.particle_shape_and_density.__name__ in (
                 LiquidSpheres.__name__,

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PySDM/dynamics/isotopic_fractionation.py

@@ -1,6 +1,8 @@
 """
-resolves fractionation of water molecules across different isotopologues
-requires condensation dynamic to be registered (and run beforehand)
+Resolves fractionation of water molecules across different isotopologues.
+
+Requires condensation dynamic to be registered (and run beforehand).
+Considers only single-substituted molecules (i.e. no D2O, etc.)
 """
 
 from PySDM.dynamics.condensation import Condensation

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PySDM/environments/kinematic_1d.py

@@ -60,12 +60,12 @@ class Kinematic1D(Moist):
             ) = self.mesh.cellular_attributes(positions)
 
             if collisions_only:
-                v_wet, n_per_kg = spectral_discretisation.sample(
+                v_wet, n_per_kg = spectral_discretisation.sample_deterministic(
                     backend=self.particulator.backend, n_sd=self.particulator.n_sd
                 )
                 attributes["volume"] = v_wet
             else:
-                r_dry, n_per_kg = spectral_discretisation.sample(
+                r_dry, n_per_kg = spectral_discretisation.sample_deterministic(
                     backend=self.particulator.backend, n_sd=self.particulator.n_sd
                 )
                 attributes["dry volume"] = self.formulae.trivia.volume(radius=r_dry)

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PySDM/environments/kinematic_2d.py

@@ -60,9 +60,9 @@ class Kinematic2D(Moist):
                 attributes["position in cell"],
             ) = self.mesh.cellular_attributes(positions)
 
-            r_dry, n_per_kg = spectral_sampling(spectrum=dry_radius_spectrum).sample(
-                n_sd=n_sd, backend=self.particulator.backend
-            )
+            r_dry, n_per_kg = spectral_sampling(
+                spectrum=dry_radius_spectrum
+            ).sample_deterministic(n_sd=n_sd, backend=self.particulator.backend)
 
             attributes["dry volume"] = self.formulae.trivia.volume(radius=r_dry)
             attributes["kappa times dry volume"] = kappa * attributes["dry volume"]

pysdm-3.0.0rc17/PySDM/initialisation/sampling/spectral_sampling.py

@@ -0,0 +1,153 @@
+"""
+spectral discretisation logic incl. linear, logarithmic, and constant-multiplicity
+ layouts with deterministic, pseudorandom and quasirandom sampling
+"""
+
+import abc
+from typing import Optional, Tuple
+
+import numpy as np
+from scipy.interpolate import interp1d
+
+default_cdf_range = (0.00001, 0.99999)
+
+
+class SpectralSampling:
+    def __init__(
+        self,
+        spectrum,
+        *,
+        size_range: Optional[Tuple[float, float]] = None,
+        error_threshold: Optional[float] = None,
+    ):
+        self.spectrum = spectrum
+        self.error_threshold = error_threshold or 0.01
+
+        if size_range is None:
+            self.cdf_range = default_cdf_range
+            self.size_range = spectrum.percentiles(self.cdf_range)
+        else:
+            assert len(size_range) == 2
+            assert size_range[0] > 0
+            assert size_range[1] > size_range[0]
+            self.size_range = size_range
+            self.cdf_range = (
+                spectrum.cdf(size_range[0]),
+                spectrum.cdf(size_range[1]),
+            )
+
+    @abc.abstractmethod
+    def _sample(self, frac_values):
+        pass
+
+    def _sample_with_grid(self, grid):
+        x = grid[1:-1:2]
+        cdf = self.spectrum.cumulative(grid[0::2])
+        y_float = cdf[1:] - cdf[0:-1]
+
+        diff = abs(1 - np.sum(y_float) / self.spectrum.norm_factor)
+        if diff > self.error_threshold:
+            raise ValueError(
+                f"{diff * 100:.3g}% error in total real-droplet number due to sampling "
+                f"({len(x)} samples)"
+            )
+
+        return x, y_float
+
+    def sample_deterministic(
+        self, n_sd, *, backend=None
+    ):  # pylint: disable=unused-argument
+        return self._sample(
+            frac_values=np.linspace(
+                self.cdf_range[0], self.cdf_range[1], num=2 * n_sd + 1
+            )
+        )
+
+    def sample_quasirandom(self, n_sd, *, backend):
+        num_elements = n_sd
+        storage = backend.Storage.empty(num_elements, dtype=float)
+        backend.Random(seed=backend.formulae.seed, size=num_elements)(storage)
+        u01 = storage.to_ndarray()
+
+        frac_values = np.linspace(
+            self.cdf_range[0], self.cdf_range[1], num=2 * n_sd + 1
+        )
+
+        for i in range(1, len(frac_values) - 1, 2):
+            frac_values[i] = frac_values[i - 1] + u01[i // 2] * (
+                frac_values[i + 1] - frac_values[i - 1]
+            )
+
+        return self._sample(frac_values=frac_values)
+
+    def sample_pseudorandom(self, n_sd, *, backend):
+        num_elements = 2 * n_sd + 1
+        storage = backend.Storage.empty(num_elements, dtype=float)
+        backend.Random(seed=backend.formulae.seed, size=num_elements)(storage)
+        u01 = storage.to_ndarray()
+
+        frac_values = np.sort(
+            self.cdf_range[0] + u01 * (self.cdf_range[1] - self.cdf_range[0])
+        )
+        return self._sample(frac_values=frac_values)
+
+
+class Logarithmic(SpectralSampling):
+    def _sample(self, frac_values):
+        grid = np.exp(
+            (np.log(self.size_range[1]) - np.log(self.size_range[0])) * frac_values
+            + np.log(self.size_range[0])
+        )
+        return self._sample_with_grid(grid)
+
+
+class Linear(SpectralSampling):
+    def _sample(self, frac_values):
+        grid = self.size_range[0] + frac_values * (
+            self.size_range[1] - self.size_range[0]
+        )
+        return self._sample_with_grid(grid)
+
+
+class ConstantMultiplicity(SpectralSampling):
+    def _sample(self, frac_values):
+        grid = self.spectrum.percentiles(frac_values)
+        assert np.isfinite(grid).all()
+        return self._sample_with_grid(grid)
+
+
+class AlphaSampling(SpectralSampling):
+    """as in [Matsushima et al. 2023](https://doi.org/10.5194/gmd-16-6211-2023)"""
+
+    def __init__(
+        self,
+        spectrum,
+        *,
+        alpha,
+        dist_1_inv,
+        interp_points,
+        size_range=None,
+        error_threshold: Optional[float] = None,
+    ):
+        super().__init__(
+            spectrum, size_range=size_range, error_threshold=error_threshold
+        )
+        self.alpha = alpha
+        self.dist_0_cdf = self.spectrum.cdf
+        self.dist_1_inv = dist_1_inv
+        self.x_prime = np.linspace(
+            self.size_range[0], self.size_range[1], num=interp_points
+        )
+
+    def _sample(self, frac_values):
+        if self.alpha == 0:
+            frac_values = self.spectrum.percentiles(frac_values)
+        elif self.alpha == 1:
+            frac_values = self.dist_1_inv(frac_values, self.size_range)
+        else:
+            sd_cdf = self.dist_0_cdf(self.x_prime)
+            x_sd_cdf = (1 - self.alpha) * self.x_prime + self.alpha * self.dist_1_inv(
+                sd_cdf, self.size_range
+            )
+            frac_values = interp1d(sd_cdf, x_sd_cdf)(frac_values)
+        return self._sample_with_grid(frac_values)

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/PySDM/initialisation/spectra/sum.py

@@ -20,7 +20,7 @@ class Sum:
         cdf_arg = np.zeros(len(interpolation_grid) * len(self.spectra) + 1)
         cdf_arg[1:] = np.concatenate(percentiles)
         cdf = self.cumulative(cdf_arg) / self.norm_factor
-        self.inverse_cdf = interp1d(cdf, cdf_arg)
+        self.inverse_cdf = interp1d(cdf, cdf_arg, bounds_error=False)
 
     def size_distribution(self, arg):
         result = 0.0
@@ -36,3 +36,9 @@ class Sum:
 
     def percentiles(self, cdf_values):
         return self.inverse_cdf(cdf_values)
+
+    def pdf(self, arg):
+        return self.size_distribution(arg) / self.norm_factor
+
+    def cdf(self, arg):
+        return self.cumulative(arg) / self.norm_factor

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/docs/bibliography.json

@@ -951,6 +951,15 @@
     "title": "A physically constrained classical description of the homogeneous nucleation of ice in water",
     "label": "Koop and Murray 2016 (J. Chem. Phys. 145)"
   },
+  "https://doi.org/10.5194/gmd-16-6211-2023": {
+    "title": "Overcoming computational challenges to realize meter- to submeter-scale resolution in cloud simulations using the super-droplet method",
+    "label": "Matsushima et al. 2023 (Geosci. Model Dev. 16)",
+    "usages": [
+      "PySDM/initialisation/sampling/spectral_sampling.py",
+      "examples/PySDM_examples/Matsushima_et_al_2023/figure_1.ipynb",
+      "examples/PySDM_examples/Matsushima_et_al_2023/__init__.py"
+    ]
+  },
   "https://doi.org/10.48550/arXiv.2509.05536": {
     "usages": [
       "examples/PySDM_examples/Ware_et_al_2025/__init__.py",

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/docs/markdown/pysdm_landing.md

@@ -103,7 +103,7 @@ Exponential = pyimport("PySDM.initialisation.spectra").Exponential
 n_sd = 2^15
 initial_spectrum = Exponential(norm_factor=8.39e12, scale=1.19e5 * si.um^3)
 attributes = Dict()
-attributes["volume"], attributes["multiplicity"] = ConstantMultiplicity(spectrum=initial_spectrum).sample(n_sd)
+attributes["volume"], attributes["multiplicity"] = ConstantMultiplicity(spectrum=initial_spectrum).sample_deterministic(n_sd)
 ```
 </details>
 <details>
@@ -119,7 +119,7 @@ initial_spectrum = Exponential(pyargs(...
     'norm_factor', 8.39e12, ...
     'scale', 1.19e5 * si.um ^ 3 ...
 ));
-tmp = ConstantMultiplicity(initial_spectrum).sample(int32(n_sd));
+tmp = ConstantMultiplicity(initial_spectrum).sample_deterministic(int32(n_sd));
 attributes = py.dict(pyargs('volume', tmp{1}, 'multiplicity', tmp{2}));
 ```
 </details>
@@ -133,7 +133,7 @@ from PySDM.initialisation.spectra.exponential import Exponential
 n_sd = 2 ** 15
 initial_spectrum = Exponential(norm_factor=8.39e12, scale=1.19e5 * si.um ** 3)
 attributes = {}
-attributes['volume'], attributes['multiplicity'] = ConstantMultiplicity(initial_spectrum).sample(n_sd)
+attributes['volume'], attributes['multiplicity'] = ConstantMultiplicity(initial_spectrum).sample_deterministic(n_sd)
 ```
 </details>
 
@@ -323,7 +323,7 @@ The component submodules used to create this simulation are visualized below:
     IS["initial_spectrum :Exponential"] -->|passed as arg to| CM_INIT
     CM_INIT(["ConstantMultiplicity.__init__()"]) -->|instantiates| CM_INSTANCE
     CM_INSTANCE[":ConstantMultiplicity"] -.-|has a method| SAMPLE
-    SAMPLE(["ConstantMultiplicity.sample()"]) -->|returns| n
+    SAMPLE(["ConstantMultiplicity.sample_deterministic()"]) -->|returns| n
     SAMPLE -->|returns| volume
     n -->|added as element of| ATTRIBUTES
     PARTICULATOR_INSTANCE -.-|has a method| PARTICULATOR_RUN(["Particulator.run()"])
@@ -414,7 +414,7 @@ builder = Builder(backend=CPU(formulae), n_sd=n_sd, environment=env)
 builder.add_dynamic(AmbientThermodynamics())
 builder.add_dynamic(Condensation())
 
-r_dry, specific_concentration = spectral_sampling.Logarithmic(spectrum).sample(n_sd)
+r_dry, specific_concentration = spectral_sampling.Logarithmic(spectrum).sample_deterministic(n_sd)
 v_dry = formulae.trivia.volume(radius=r_dry)
 r_wet = equilibrate_wet_radii(r_dry=r_dry, environment=builder.particulator.environment, kappa_times_dry_volume=kappa * v_dry)
 
@@ -495,7 +495,7 @@ builder = Builder(pyargs('backend', CPU(formulae), 'n_sd', int32(n_sd), 'environ
 builder.add_dynamic(AmbientThermodynamics());
 builder.add_dynamic(Condensation());
 
-tmp = spectral_sampling.Logarithmic(spectrum).sample(int32(n_sd));
+tmp = spectral_sampling.Logarithmic(spectrum).sample_deterministic(int32(n_sd));
 r_dry = tmp{1};
 v_dry = formulae.trivia.volume(pyargs('radius', r_dry));
 specific_concentration = tmp{2};
@@ -596,7 +596,7 @@ builder = Builder(backend=CPU(formulae), n_sd=n_sd, environment=env)
 builder.add_dynamic(AmbientThermodynamics())
 builder.add_dynamic(Condensation())
 
-r_dry, specific_concentration = spectral_sampling.Logarithmic(spectrum).sample(n_sd)
+r_dry, specific_concentration = spectral_sampling.Logarithmic(spectrum).sample_deterministic(n_sd)
 v_dry = formulae.trivia.volume(radius=r_dry)
 r_wet = equilibrate_wet_radii(r_dry=r_dry, environment=builder.particulator.environment, kappa_times_dry_volume=kappa * v_dry)
 

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/examples/PySDM_examples/Abade_and_Albuquerque_2024/fig_2.ipynb

@@ -41,11 +41,12 @@
    },
    "outputs": [],
    "source": [
-    "import sys\n",
+    "import os, sys\n",
+    "os.environ['NUMBA_THREADING_LAYER'] = 'workqueue'  # PySDM & PyMPDATA don't work with TBB; OpenMP has extra dependencies on macOS\n",
     "if 'google.colab' in sys.modules:\n",
     "    !pip --quiet install open-atmos-jupyter-utils\n",
     "    from open_atmos_jupyter_utils import pip_install_on_colab\n",
-    "    pip_install_on_colab('PySDM-examples')"
+    "    pip_install_on_colab('PySDM-examples', 'PySDM')"
    ]
   },
   {
@@ -55,7 +56,6 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "import os\n",
     "import numpy as np\n",
     "from matplotlib import pyplot\n",
     "from scipy.interpolate import interp1d\n",

{pysdm-3.0.0rc13 → pysdm-3.0.0rc17}/examples/PySDM_examples/Abade_and_Albuquerque_2024/simulation.py

@@ -49,9 +49,9 @@ class Simulation(BasicSimulation):
         if settings.enable_vapour_deposition_on_ice:
             builder.add_dynamic(VapourDepositionOnIce(adaptive=True))
 
-        r_dry, n_in_dv = ConstantMultiplicity(settings.soluble_aerosol).sample(
-            n_sd=settings.n_sd
-        )
+        r_dry, n_in_dv = ConstantMultiplicity(
+            settings.soluble_aerosol
+        ).sample_deterministic(n_sd=settings.n_sd)
         attributes = builder.particulator.environment.init_attributes(
             n_in_dv=n_in_dv, kappa=settings.kappa, r_dry=r_dry
         )