.flake8

 [flake8]
 max-line-length=120
-exclude=pystencils/jupyter.py,
-        pystencils/plot.py
-        pystencils/session.py
+exclude=src/pystencils/jupyter.py,
+        src/pystencils/plot.py
+        src/pystencils/session.py
 ignore = W293 W503 W291 C901 E741

.gitattributes

-pystencils/_version.py export-subst
+src/pystencils/_version.py export-subst

.gitignore

@@ -5,7 +5,7 @@ __pycache__
 *.vti
 /build
 /dist
-/*.egg-info
+*.egg-info
 .cache
 _build
 /html_doc
@@ -15,12 +15,12 @@ _build
 _local_tmp
 RELEASE-VERSION
 test-report
-pystencils/boundaries/createindexlistcython.c
-pystencils/boundaries/createindexlistcython.*.so
-pystencils_tests/tmp
-pystencils_tests/var
-pystencils_tests/kerncraft_inputs/.2d-5pt.c_kerncraft/
-pystencils_tests/kerncraft_inputs/.3d-7pt.c_kerncraft/
+src/pystencils/boundaries/createindexlistcython.c
+src/pystencils/boundaries/createindexlistcython.*.so
+tests/tmp
+tests/var
+tests/kerncraft_inputs/.2d-5pt.c_kerncraft/
+tests/kerncraft_inputs/.3d-7pt.c_kerncraft/
 report.xml
 coverage_report/
 

.gitlab-ci.yml

 stages:
   - pretest
   - test
+  - nightly
+  - docs
   - deploy
 
 
+# --------------------------  Templates ------------------------------------------------------------------------------------
+
+# Base configuration for jobs meant to run at every commit
+.every-commit:
+  rules:
+    - if: $CI_PIPELINE_SOURCE != "schedule"
+
+# Configuration for jobs meant to run on each commit to pycodegen/pystencils/master
+.every-commit-master:
+  rules:
+    - if: '$CI_PIPELINE_SOURCE != "schedule" && $CI_PROJECT_PATH == "pycodegen/pystencils" && $CI_COMMIT_BRANCH == "master"'
+
+# Base configuration for jobs meant to run at a schedule
+.scheduled:
+  rules:
+    - if: $CI_PIPELINE_SOURCE == "schedule"
+
 # --------------------------  Tests ------------------------------------------------------------------------------------
 
 # Normal test - runs on every commit all but "long run" tests
 tests-and-coverage:
   stage: pretest
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
-  image: i10git.cs.fau.de:5005/pycodegen/pycodegen/full
+  extends: .every-commit
+  image: i10git.cs.fau.de:5005/pycodegen/pycodegen/full:cupy12.3
+  before_script:
+    - pip install -e .
   script:
-    - pip install sympy --upgrade
     - env
     - pip list
     - export NUM_CORES=$(nproc --all)
     - mkdir -p ~/.config/matplotlib
     - echo "backend:template" > ~/.config/matplotlib/matplotlibrc
     - mkdir public
-    - py.test -v -n $NUM_CORES --cov-report html --cov-report xml --cov-report term --cov=. -m "not longrun" --html test-report/index.html --junitxml=report.xml
-    - python3 -m coverage xml
+    - pytest -v -n $NUM_CORES --cov-report html --cov-report xml --cov-report term --cov=. -m "not longrun" --html test-report/index.html --junitxml=report.xml
+    - python -m coverage xml
   tags:
     - docker
     - cuda11
@@ -44,9 +62,11 @@ tests-and-coverage-with-longrun:
   stage: test
   when: manual
   allow_failure: true
-  image: i10git.cs.fau.de:5005/pycodegen/pycodegen/full
-  script:
+  image: i10git.cs.fau.de:5005/pycodegen/pycodegen/full:cupy12.3
+  before_script:
     - pip install sympy --upgrade
+    - pip install -e .
+  script:
     - env
     - pip list
     - export NUM_CORES=$(nproc --all)
@@ -62,13 +82,14 @@ tests-and-coverage-with-longrun:
 # pipeline with latest python version
 latest-python:
   stage: test
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
+  extends: .every-commit
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/latest_python
+  before_script:
+    - pip install -e .
   script:
     - env
     - pip list
+    - pip install -e .
     - export NUM_CORES=$(nproc --all)
     - mkdir -p ~/.config/matplotlib
     - echo "backend:template" > ~/.config/matplotlib/matplotlibrc
@@ -86,9 +107,6 @@ latest-python:
 # Minimal tests in windows environment
 #minimal-windows:
 #  stage: test
-#  except:
-#    variables:
-#      - $ENABLE_NIGHTLY_BUILDS
 #  tags:
 #    - win
 #  script:
@@ -102,23 +120,19 @@ latest-python:
 
 ubuntu:
   stage: test
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
+  extends: .every-commit
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/ubuntu
   before_script:
-    - apt-get -y remove python3-sympy
     - ln -s /usr/include/locale.h /usr/include/xlocale.h
-    - pip3 install `grep -Eo 'sympy[>=]+[0-9\.]+' setup.py | sed 's/>/=/g'`
-    # - pip3 install `grep -Eo 'sympy[>=]+[0-9\.]+' setup.py | sed 's/>/=/g'`
+    - pip3 install -e .
   script:
     - export NUM_CORES=$(nproc --all)
     - mkdir -p ~/.config/matplotlib
     - echo "backend:template" > ~/.config/matplotlib/matplotlibrc
     - sed -i 's/--doctest-modules //g' pytest.ini
     - env
-    - pip3 list
-    - pytest-3 -v -n $NUM_CORES -m "not longrun" --junitxml=report.xml
+    - pip list
+    - pytest -v -n $NUM_CORES -m "not longrun" --junitxml=report.xml
   tags:
     - docker
     - cuda11
@@ -130,10 +144,11 @@ ubuntu:
 
 .multiarch_template:
   stage: test
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
+  extends: .every-commit
+  allow_failure: true
   before_script: &multiarch_before_script
+    # - pip3 install -v .
+    - export PYTHONPATH=src
     - python3 -c "import pystencils as ps; ps.cpu.cpujit.read_config()"
     - sed -i '/^fail_under.*/d' pytest.ini
   script:
@@ -143,13 +158,19 @@ ubuntu:
     - sed -i 's/--doctest-modules //g' pytest.ini
     - env
     - pip3 list
-    - pytest-3 -v -n $NUM_CORES --junitxml=report.xml pystencils_tests/test_*vec*.py pystencils_tests/test_random.py pystencils_tests/test_half_precision.py
+    - python3 -m pytest -v -n $NUM_CORES --cov-report html --cov-report xml --cov=. --junitxml=report.xml tests/test_*vec*.py tests/test_random.py tests/test_half_precision.py
+    - python3 -m coverage xml
   tags:
     - docker
     - AVX
   artifacts:
     when: always
+    paths:
+      - coverage_report
     reports:
+      coverage_report:
+        coverage_format: cobertura
+        path: coverage.xml
       junit: report.xml
 
 arm64v8:
@@ -175,32 +196,30 @@ arm64v9:
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/arm64
   before_script:
     - *multiarch_before_script
-    - sed -i s/march=native/march=armv8-a+sve/g ~/.config/pystencils/config.json
+    - sed -i s/march=native/march=armv9-a+sve2+sme/g ~/.config/pystencils/config.json
     - sed -i s/g\+\+/clang++/g ~/.config/pystencils/config.json
 
 riscv64:
   # RISC-V vector extension are currently not supported by GCC.
-  # Also, the image is built without the libomp package which is not yet available on Ubuntu.
   extends: .multiarch_template
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/riscv64
   variables:
-    # explicitly set SIMD as detection does not appear to work on QEMU
+    # explicitly set SIMD as detection requires QEMU >= 8.1
     PYSTENCILS_SIMD: "rvv"
-    QEMU_CPU: "rv64,v=true"
+    QEMU_CPU: "rv64,v=true,zicboz=true"
   before_script:
     - *multiarch_before_script
-    - sed -i 's/march=native/march=rv64imfdv/g' ~/.config/pystencils/config.json
-    - sed -i s/g\+\+/clang++/g ~/.config/pystencils/config.json
-    - sed -i 's/fopenmp/fopenmp=libgomp -I\/usr\/include\/riscv64-linux-gnu/g' ~/.config/pystencils/config.json
+    - sed -i 's/march=native/march=rv64imfdvzicboz/g' ~/.config/pystencils/config.json
+    - sed -i s/g\+\+/clang++-15/g ~/.config/pystencils/config.json
 
 minimal-conda:
   stage: pretest
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
+  extends: .every-commit
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/minimal_conda
+  before_script:
+    - pip install -e .
   script:
-    - python setup.py quicktest
+    - python quicktest.py
   tags:
     - docker
     - cuda
@@ -208,13 +227,13 @@ minimal-conda:
 
 minimal-sympy-master:
   stage: test
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
+  extends: .every-commit
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/minimal_conda
+  before_script:
+    - pip install -e .
   script:
     - python -m pip install --upgrade git+https://github.com/sympy/sympy.git
-    - python setup.py quicktest
+    - python quicktest.py
   allow_failure: true
   tags:
     - docker
@@ -265,26 +284,57 @@ pycodegen-integration:
     reports:
       junit: pycodegen/*/report.xml
 
+
+# -------------------- Scheduled Tasks --------------------------------------------------------------------------
+
+
+# Nightly test against the latest (pre-release) version of SymPy published on PyPI
+nightly-sympy:
+  stage: nightly
+  needs: []
+  extends: .scheduled
+  image: i10git.cs.fau.de:5005/pycodegen/pycodegen/latest_python
+  before_script:
+    - pip install -e .
+    - pip install --upgrade --pre sympy
+  script:
+    - env
+    - pip list
+    - export NUM_CORES=$(nproc --all)
+    - mkdir -p ~/.config/matplotlib
+    - echo "backend:template" > ~/.config/matplotlib/matplotlibrc
+    - mkdir public
+    - pytest -v -n $NUM_CORES -m "not longrun" --junitxml=report.xml
+  tags:
+    - docker
+    - AVX
+    - cuda
+  artifacts:
+    when: always
+    reports:
+      junit: report.xml
+
 # -------------------- Linter & Documentation --------------------------------------------------------------------------
 
 
 flake8-lint:
   stage: pretest
-  except:
-    variables:
-      - $ENABLE_NIGHTLY_BUILDS
+  extends: .every-commit
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/full
   script:
-    - flake8 pystencils
+    - flake8 src/pystencils
   tags:
     - docker
 
 
 build-documentation:
-  stage: test
+  stage: docs
+  extends: .every-commit
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/documentation
+  needs: []
+  before_script:
+    - pip install -e .
   script:
-    - export PYTHONPATH=`pwd`
     - mkdir html_doc
     - sphinx-build -b html doc  html_doc
     - sphinx-build -W -b html doc  html_doc
@@ -297,7 +347,9 @@ build-documentation:
 
 pages:
   image: i10git.cs.fau.de:5005/pycodegen/pycodegen/full
+  extends: .every-commit-master
   stage: deploy
+  needs: ["tests-and-coverage", "build-documentation"]
   script:
     - ls -l
     - mv coverage_report html_doc
@@ -307,5 +359,3 @@ pages:
       - public
   tags:
     - docker
-  only:
-    - master@pycodegen/pystencils

MANIFEST.in

-include README.md
-include COPYING.txt
 include AUTHORS.txt
 include CONTRIBUTING.md
-CHANGELOG.md
-global-include *.pyx
-include versioneer.py
-include pystencils/_version.py
+include CHANGELOG.md

README.md

@@ -81,4 +81,7 @@ Many thanks go to the [contributors](https://i10git.cs.fau.de/pycodegen/pystenci
 If you use pystencils in a publication, please cite the following articles:
 
 Overview:
-  - M. Bauer et al, Code Generation for Massively Parallel Phase-Field Simulations. Association for Computing Machinery, 2019. https://doi.org/10.1145/3295500.3356186
+  - M. Bauer et al, Code Generation for Massively Parallel Phase-Field Simulations. Association for Computing Machinery, 2019. https://doi.org/10.1145/3295500.3356186
\ No newline at end of file
+
+Performance Modelling:
+  - D. Ernst et al, Analytical performance estimation during code generation on modern GPUs. Journal of Parallel and Distributed Computing, 2023. https://doi.org/10.1016/j.jpdc.2022.11.003

conftest.py

@@ -8,7 +8,7 @@ import nbformat
 import pytest
 from nbconvert import PythonExporter
 
-from pystencils.boundaries.createindexlistcython import *  # NOQA
+from pystencils.boundaries.createindexlist import *  # NOQA
 # Trigger config file reading / creation once - to avoid race conditions when multiple instances are creating it
 # at the same time
 from pystencils.cpu import cpujit
@@ -40,48 +40,48 @@ def add_path_to_ignore(path):
 
 
 collect_ignore = [os.path.join(SCRIPT_FOLDER, "doc", "conf.py"),
-                  os.path.join(SCRIPT_FOLDER, "pystencils", "opencl", "opencl.autoinit")]
-add_path_to_ignore('pystencils_tests/benchmark')
+                  os.path.join(SCRIPT_FOLDER, "src", "pystencils", "opencl", "opencl.autoinit")]
+add_path_to_ignore('tests/benchmark')
 add_path_to_ignore('_local_tmp')
 
 
 try:
     import cupy
 except ImportError:
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils_tests/test_gpu.py")]
-    add_path_to_ignore('pystencils/gpu')
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "tests/test_gpu.py")]
+    add_path_to_ignore('src/pystencils/gpu')
 
 try:
     import waLBerla
 except ImportError:
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils_tests/test_aligned_array.py"),
-                       os.path.join(SCRIPT_FOLDER, "pystencils_tests/test_datahandling_parallel.py"),
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "tests/test_aligned_array.py"),
+                       os.path.join(SCRIPT_FOLDER, "tests/test_datahandling_parallel.py"),
                        os.path.join(SCRIPT_FOLDER, "doc/notebooks/03_tutorial_datahandling.ipynb"),
-                       os.path.join(SCRIPT_FOLDER, "pystencils/datahandling/parallel_datahandling.py"),
-                       os.path.join(SCRIPT_FOLDER, "pystencils_tests/test_small_block_benchmark.ipynb")]
+                       os.path.join(SCRIPT_FOLDER, "src/pystencils/datahandling/parallel_datahandling.py"),
+                       os.path.join(SCRIPT_FOLDER, "tests/test_small_block_benchmark.ipynb")]
 
 try:
     import blitzdb
 except ImportError:
-    add_path_to_ignore('pystencils/runhelper')
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils_tests/test_parameterstudy.py")]
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils_tests/test_json_serializer.py")]
+    add_path_to_ignore('src/pystencils/runhelper')
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "tests/test_parameterstudy.py")]
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "tests/test_json_serializer.py")]
 
 try:
     import islpy
 except ImportError:
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils/integer_set_analysis.py")]
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "src/pystencils/integer_set_analysis.py")]
 
 try:
     import graphviz
 except ImportError:
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils/backends/dot.py")]
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "src/pystencils/backends/dot.py")]
     collect_ignore += [os.path.join(SCRIPT_FOLDER, "doc/notebooks/01_tutorial_getting_started.ipynb")]
 
 try:
     import pyevtk
 except ImportError:
-    collect_ignore += [os.path.join(SCRIPT_FOLDER, "pystencils/datahandling/vtk.py")]
+    collect_ignore += [os.path.join(SCRIPT_FOLDER, "src/pystencils/datahandling/vtk.py")]
 
 collect_ignore += [os.path.join(SCRIPT_FOLDER, 'setup.py')]
 

pyproject.toml

+[project]
+name = "pystencils"
+description = "Speeding up stencil computations on CPUs and GPUs"
+dynamic = ["version"]
+readme = "README.md"
+authors = [
+    { name = "Martin Bauer" },
+    { name = "Jan Hönig " },
+    { name = "Markus Holzer" },
+    { name = "Frederik Hennig" },
+    { email = "cs10-codegen@fau.de" },
+]
+license = { file = "COPYING.txt" }
+requires-python = ">=3.10"
+dependencies = ["sympy>=1.9,<=1.12.1", "numpy>=1.8.0", "appdirs", "joblib", "pyyaml", "fasteners"]
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Framework :: Jupyter",
+    "Topic :: Software Development :: Code Generators",
+    "Topic :: Scientific/Engineering :: Physics",
+    "Intended Audience :: Developers",
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: GNU Affero General Public License v3 or later (AGPLv3+)",
+]
+
+[project.urls]
+"Bug Tracker" = "https://i10git.cs.fau.de/pycodegen/pystencils/-/issues"
+"Documentation" = "https://pycodegen.pages.i10git.cs.fau.de/pystencils/"
+"Source Code" = "https://i10git.cs.fau.de/pycodegen/pystencils"
+
+[project.optional-dependencies]
+gpu = ['cupy']
+alltrafos = ['islpy', 'py-cpuinfo']
+bench_db = ['blitzdb', 'pymongo', 'pandas']
+interactive = [
+    'matplotlib',
+    'ipy_table',
+    'imageio',
+    'jupyter',
+    'pyevtk',
+    'rich',
+    'graphviz',
+]
+use_cython = [
+    'Cython'
+]
+doc = [
+    'sphinx',
+    'sphinx_rtd_theme',
+    'nbsphinx',
+    'sphinxcontrib-bibtex',
+    'sphinx_autodoc_typehints',
+    'pandoc',
+]
+tests = [
+    'pytest',
+    'pytest-cov',
+    'pytest-html',
+    'ansi2html',
+    'pytest-xdist',
+    'flake8',
+    'nbformat',
+    'nbconvert',
+    'ipython',
+    'matplotlib',
+    'py-cpuinfo',
+    'randomgen>=1.18',
+]
+
+[build-system]
+requires = [
+    "setuptools>=61",
+    "versioneer[toml]>=0.29",
+    # 'Cython'
+]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools.package-data]
+pystencils = [
+    "include/*.h",
+    "boundaries/createindexlistcython.pyx"
+]
+
+[tool.setuptools.packages.find]
+where = ["src"]
+include = ["pystencils", "pystencils.*"]
+namespaces = false
+
+[tool.versioneer]
+# See the docstring in versioneer.py for instructions. Note that you must
+# re-run 'versioneer.py setup' after changing this section, and commit the
+# resulting files.
+VCS = "git"
+style = "pep440"
+versionfile_source = "src/pystencils/_version.py"
+versionfile_build = "pystencils/_version.py"
+tag_prefix = "release/"
+parentdir_prefix = "pystencils-"

pystencils/include/PyStencilsField.h

-#pragma once
-
-extern "C++" {
-#ifdef __CUDA_ARCH__
-template <typename DTYPE_T, std::size_t DIMENSION> struct PyStencilsField {
-  DTYPE_T *data;
-  DTYPE_T shape[DIMENSION];
-  DTYPE_T stride[DIMENSION];
-};
-#else
-#include <array>
-
-template <typename DTYPE_T, std::size_t DIMENSION> struct PyStencilsField {
-  DTYPE_T *data;
-  std::array<DTYPE_T, DIMENSION> shape;
-  std::array<DTYPE_T, DIMENSION> stride;
-};
-#endif
-}

pystencils/include/gpu_defines.h

-#pragma once
-
-#define POS_INFINITY __int_as_float(0x7f800000)
-#define INFINITY POS_INFINITY
-#define NEG_INFINITY __int_as_float(0xff800000)
-
-#ifdef __HIPCC_RTC__
-typedef __hip_uint8_t uint8_t;
-typedef __hip_int8_t int8_t;
-typedef __hip_uint16_t uint16_t;
-typedef __hip_int16_t int16_t;
-#endif

pystencils/node_collection.py

-from typing import List, Union
-
-import sympy
-import sympy as sp
-from sympy.codegen import Assignment
-from sympy.codegen.rewriting import ReplaceOptim, optimize
-
-from pystencils.astnodes import Block, Node, SympyAssignment
-from pystencils.backends.cbackend import CustomCodeNode
-from pystencils.functions import DivFunc
-from pystencils.simp import AssignmentCollection
-
-
-class NodeCollection:
-    def __init__(self, assignments: List[Union[Node, Assignment]]):
-        self.all_assignments = assignments
-
-        if all((isinstance(a, Assignment) for a in assignments)):
-            self.is_Nodes = False
-            self.is_Assignments = True
-        elif all((isinstance(n, Node) for n in assignments)):
-            self.is_Nodes = True
-            self.is_Assignments = False
-        else:
-            raise ValueError(f'The list "{assignments}" is mixed. Pass either a list of "pystencils.Assignments" '
-                             f'or a list of "pystencils.astnodes.Node')
-
-        self.simplification_hints = {}
-
-    @staticmethod
-    def from_assignment_collection(assignment_collection: AssignmentCollection):
-        nodes = list()
-        for assignemt in assignment_collection.all_assignments:
-            if isinstance(assignemt, Assignment):
-                nodes.append(SympyAssignment(assignemt.lhs, assignemt.rhs))
-            elif isinstance(assignemt, Node):
-                nodes.append(assignemt)
-            else:
-                raise ValueError(f"Unknown node in the AssignmentCollection: {assignemt}")
-
-        return NodeCollection(nodes)
-
-    def evaluate_terms(self):
-        evaluate_constant_terms = ReplaceOptim(
-            lambda e: hasattr(e, 'is_constant') and e.is_constant and not e.is_integer,
-            lambda p: p.evalf()
-        )
-
-        evaluate_pow = ReplaceOptim(
-            lambda e: e.is_Pow and e.exp.is_Integer and abs(e.exp) <= 8,
-            lambda p: sp.UnevaluatedExpr(sp.Mul(*([p.base] * +p.exp), evaluate=False)) if p.exp > 0 else
-            (DivFunc(sp.Integer(1), p.base) if p.exp == -1 else
-             DivFunc(sp.Integer(1), sp.UnevaluatedExpr(sp.Mul(*([p.base] * -p.exp), evaluate=False))))
-        )
-        sympy_optimisations = [evaluate_constant_terms, evaluate_pow]
-
-        if self.is_Nodes:
-            def visitor(node):
-                if isinstance(node, CustomCodeNode):
-                    return node
-                elif isinstance(node, Block):
-                    return node.func([visitor(child) for child in node.args])
-                elif isinstance(node, Node):
-                    return node.func(*[visitor(child) for child in node.args])
-                elif isinstance(node, sympy.Basic):
-                    return optimize(node, sympy_optimisations)
-                else:
-                    raise NotImplementedError(f'{node} {type(node)} has no valid visitor')
-
-            self.all_assignments = [visitor(assignment) for assignment in self.all_assignments]
-        else:
-            self.all_assignments = [Assignment(a.lhs, optimize(a.rhs, sympy_optimisations))
-                                    if hasattr(a, 'lhs')
-                                    else a for a in self.all_assignments]

pystencils_tests/test_indexed_kernels.py

-import numpy as np
-import pytest
-
-import pystencils as ps
-from pystencils import Assignment, Field, CreateKernelConfig, create_kernel, Target
-
-
-def test_indexed_kernel():
-    arr = np.zeros((3, 4))
-    dtype = np.dtype([('x', int), ('y', int), ('value', arr.dtype)])
-    index_arr = np.zeros((3,), dtype=dtype)
-    index_arr[0] = (0, 2, 3.0)
-    index_arr[1] = (1, 3, 42.0)
-    index_arr[2] = (2, 1, 5.0)
-
-    indexed_field = Field.create_from_numpy_array('index', index_arr)
-    normal_field = Field.create_from_numpy_array('f', arr)
-    update_rule = Assignment(normal_field[0, 0], indexed_field('value'))
-
-    config = CreateKernelConfig(index_fields=[indexed_field])
-    ast = create_kernel([update_rule], config=config)
-    kernel = ast.compile()
-    kernel(f=arr, index=index_arr)
-    code = ps.get_code_str(kernel)
-    for i in range(index_arr.shape[0]):
-        np.testing.assert_allclose(arr[index_arr[i]['x'], index_arr[i]['y']], index_arr[i]['value'], atol=1e-13)
-
-
-def test_indexed_gpu_kernel():
-    pytest.importorskip("cupy")
-    import cupy as cp
-
-    arr = np.zeros((3, 4))
-    dtype = np.dtype([('x', int), ('y', int), ('value', arr.dtype)])
-    index_arr = np.zeros((3,), dtype=dtype)
-    index_arr[0] = (0, 2, 3.0)
-    index_arr[1] = (1, 3, 42.0)
-    index_arr[2] = (2, 1, 5.0)
-
-    indexed_field = Field.create_from_numpy_array('index', index_arr)
-    normal_field = Field.create_from_numpy_array('f', arr)
-    update_rule = Assignment(normal_field[0, 0], indexed_field('value'))
-
-    config = CreateKernelConfig(target=Target.GPU, index_fields=[indexed_field])
-    ast = create_kernel([update_rule], config=config)
-    kernel = ast.compile()
-
-    gpu_arr = cp.asarray(arr)
-    gpu_index_arr = cp.ndarray(index_arr.shape, dtype=index_arr.dtype)
-    gpu_index_arr.set(index_arr)
-    kernel(f=gpu_arr, index=gpu_index_arr)
-    arr = gpu_arr.get()
-    for i in range(index_arr.shape[0]):
-        np.testing.assert_allclose(arr[index_arr[i]['x'], index_arr[i]['y']], index_arr[i]['value'], atol=1e-13)

pystencils_tests/test_print_infinity.py

-import pytest
-
-import pystencils
-from sympy import oo
-
-
-@pytest.mark.parametrize('type', ('float32', 'float64', 'int64'))
-@pytest.mark.parametrize('negative', (False, 'Negative'))
-@pytest.mark.parametrize('target', (pystencils.Target.CPU, pystencils.Target.GPU))
-def test_print_infinity(type, negative, target):
-
-    x = pystencils.fields(f'x:  {type}[1d]')
-
-    if negative:
-        assignment = pystencils.Assignment(x.center, -oo)
-    else:
-        assignment = pystencils.Assignment(x.center, oo)
-    ast = pystencils.create_kernel(assignment, data_type=type, target=target)
-
-    if target == pystencils.Target.GPU:
-        pytest.importorskip('cupy')
-
-    ast.compile()
-
-    print(ast.compile().code)

pystencils_tests/test_print_unsupported_node.py

-# -*- coding: utf-8 -*-
-#
-# Copyright © 2019 Stephan Seitz <stephan.seitz@fau.de>
-#
-# Distributed under terms of the GPLv3 license.
-
-"""
-
-"""
-import pytest
-
-import pystencils
-from pystencils.backends.cbackend import CBackend
-
-
-class UnsupportedNode(pystencils.astnodes.Node):
-
-    def __init__(self):
-        super().__init__()
-
-
-def test_print_unsupported_node():
-    with pytest.raises(NotImplementedError, match='CBackend does not support node of type UnsupportedNode'):
-        CBackend()(UnsupportedNode())

pystencils_tests/test_sliced_iteration.py

-import numpy as np
-import sympy as sp
-
-from pystencils import Assignment, Field, TypedSymbol, create_kernel, make_slice
-from pystencils.simp import sympy_cse_on_assignment_list
-
-
-def test_sliced_iteration():
-    size = (4, 4)
-    src_arr = np.ones(size)
-    dst_arr = np.zeros_like(src_arr)
-    src_field = Field.create_from_numpy_array('src', src_arr)
-    dst_field = Field.create_from_numpy_array('dst', dst_arr)
-
-    a, b = sp.symbols("a b")
-    update_rule = Assignment(dst_field[0, 0],
-                             (a * src_field[0, 1] + a * src_field[0, -1] +
-                              b * src_field[1, 0] + b * src_field[-1, 0]) / 4)
-
-    x_end = TypedSymbol("x_end", "int")
-    s = make_slice[1:x_end, 1]
-    x_end_value = size[1] - 1
-    kernel = create_kernel(sympy_cse_on_assignment_list([update_rule]), iteration_slice=s).compile()
-
-    kernel(src=src_arr, dst=dst_arr, a=1.0, b=1.0, x_end=x_end_value)
-
-    expected_result = np.zeros(size)
-    expected_result[1:x_end_value, 1] = 1
-    np.testing.assert_almost_equal(expected_result, dst_arr)

pytest.ini

 [pytest]
+testpaths = src tests doc/notebooks
+pythonpath = src
 python_files = test_*.py *_test.py scenario_*.py
 norecursedirs = *.egg-info .git .cache .ipynb_checkpoints htmlcov
 addopts = --doctest-modules --durations=20  --cov-config pytest.ini
@@ -17,20 +19,21 @@ filterwarnings =
 
 [run]
 branch = True
-source = pystencils
-         pystencils_tests
+source = src/pystencils
+         tests
 
 omit = doc/*
-       pystencils_tests/*
+       tests/*
        setup.py
+       quicktest.py
        conftest.py
        versioneer.py
-       pystencils/jupytersetup.py
-       pystencils/cpu/msvc_detection.py
-       pystencils/sympy_gmpy_bug_workaround.py
-       pystencils/cache.py
-       pystencils/pacxx/benchmark.py
-       pystencils/_version.py
+       src/pystencils/jupytersetup.py
+       src/pystencils/cpu/msvc_detection.py
+       src/pystencils/sympy_gmpy_bug_workaround.py
+       src/pystencils/cache.py
+       src/pystencils/pacxx/benchmark.py
+       src/pystencils/_version.py
        venv/
 
 [report]