From c9912c2db179a1b078eb2d05bb07199d03dae406 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Thu, 11 Jul 2024 12:35:10 +0200
Subject: [PATCH 01/19] OSX build test

---
 .github/workflows/main.yml | 217 +++++++++++++++++++------------------
 doc/conf.py                |   2 +-
 pygpc/GPC.py               | 116 ++++++++++----------
 setup.py                   |  18 +--
 4 files changed, 179 insertions(+), 174 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index f2e96660..0e87b6b0 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -6,55 +6,100 @@ on:
   pull_request:
     branches: [ master, develop ]
 jobs:
-  linux:
-    runs-on: ubuntu-latest
-    strategy:
-      matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
-        include:
-          - python-version: "3.9"
-            cibw-string: "cp39-*"
-          - python-version: "3.10"
-            cibw-string: "cp310-*"
-          - python-version: "3.11"
-            cibw-string: "cp311-*"
-          - python-version: "3.12"
-            cibw-string: "cp312-*"
-    steps:
-    - uses: actions/checkout@v2
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
-      with:
-        python-version: ${{ matrix.python-version }}
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install Cython cibuildwheel twine
-        pip install -r requirements.txt
-        pip install .
-    - name: Test with unittest
-      run: |
-        cd tests
-        python -m unittest
-        cd .. 
-    - name: Build with cibuildwheel
-      run: |
-        python -m cibuildwheel --output-dir wheelhouse
-        ls wheelhouse/
-      env:
-        CIBW_MANYLINUX_X86_64_IMAGE: "manylinux2014"
-        CIBW_BEFORE_BUILD: "pip install numpy"
-        CIBW_BUILD: ${{ matrix.cibw-string }}
-        CIBW_SKIP: "*-musllinux_* *i686*"
-    - name: Upload with twine
-      if: "contains(github.event.head_commit.message, 'PyPI')"
-      run: |
-        python -m twine upload wheelhouse/*.whl
-      env:
-        TWINE_PASSWORD: ${{ secrets.twine_api_key }}
-        TWINE_USERNAME: __token__
-  windows:
-    runs-on: windows-2019
+  # linux:
+  #   runs-on: ubuntu-latest
+  #   strategy:
+  #     matrix:
+  #       python-version: ["3.9", "3.10", "3.11", "3.12"]
+  #       include:
+  #         - python-version: "3.9"
+  #           cibw-string: "cp39-*"
+  #         - python-version: "3.10"
+  #           cibw-string: "cp310-*"
+  #         - python-version: "3.11"
+  #           cibw-string: "cp311-*"
+  #         - python-version: "3.12"
+  #           cibw-string: "cp312-*"
+  #   steps:
+  #   - uses: actions/checkout@v2
+  #   - name: Set up Python ${{ matrix.python-version }}
+  #     uses: actions/setup-python@v1
+  #     with:
+  #       python-version: ${{ matrix.python-version }}
+  #   - name: Install dependencies
+  #     run: |
+  #       python -m pip install --upgrade pip
+  #       pip install Cython cibuildwheel twine
+  #       pip install -r requirements.txt
+  #       pip install .
+  #   - name: Test with unittest
+  #     run: |
+  #       cd tests
+  #       python -m unittest
+  #       cd .. 
+  #   - name: Build with cibuildwheel
+  #     run: |
+  #       python -m cibuildwheel --output-dir wheelhouse
+  #       ls wheelhouse/
+  #     env:
+  #       CIBW_MANYLINUX_X86_64_IMAGE: "manylinux2014"
+  #       CIBW_BEFORE_BUILD: "pip install numpy"
+  #       CIBW_BUILD: ${{ matrix.cibw-string }}
+  #       CIBW_SKIP: "*-musllinux_* *i686*"
+  #   - name: Upload with twine
+  #     if: "contains(github.event.head_commit.message, 'PyPI')"
+  #     run: |
+  #       python -m twine upload wheelhouse/*.whl
+  #     env:
+  #       TWINE_PASSWORD: ${{ secrets.twine_api_key }}
+  #       TWINE_USERNAME: __token__
+  # windows:
+  #   runs-on: windows-2019
+  #   strategy:
+  #     matrix:
+  #       python-version: ["3.9", "3.10", "3.11", "3.12"]
+  #       include:
+  #         - python-version: "3.9"
+  #           cibw-string: "cp39-*"
+  #         - python-version: "3.10"
+  #           cibw-string: "cp310-*"
+  #         - python-version: "3.11"
+  #           cibw-string: "cp311-*"
+  #         - python-version: "3.12"
+  #           cibw-string: "cp312-*"
+  #   steps:
+  #   - uses: actions/checkout@v2
+  #   - name: Set up Python ${{ matrix.python-version }}
+  #     uses: actions/setup-python@v1
+  #     with:
+  #       python-version: ${{ matrix.python-version }}
+  #   - name: Install dependencies
+  #     run: |
+  #       python -m pip install --upgrade pip
+  #       pip install Cython cibuildwheel twine
+  #       pip install -r requirements.txt
+  #       pip install .
+  #   - name: Test with unittest
+  #     run: |
+  #       cd tests
+  #       python -m unittest
+  #       cd .. 
+  #   - name: Build with cibuildwheel
+  #     run: |
+  #       python -m cibuildwheel --output-dir wheelhouse
+  #       ls wheelhouse/
+  #     env:
+  #       CIBW_BEFORE_BUILD: "pip install numpy"
+  #       CIBW_BUILD: ${{ matrix.cibw-string }} 
+  #   - name: Upload with twine
+  #     if: "contains(github.event.head_commit.message, 'PyPI')"
+  #     run: |
+  #       python -m twine upload wheelhouse/*.whl
+  #     env:
+  #       TWINE_PASSWORD: ${{ secrets.twine_api_key }}
+  #       TWINE_USERNAME: __token__
+  macos:
+    runs-on: macos-11
     strategy:
       matrix:
         python-version: ["3.9", "3.10", "3.11", "3.12"]
@@ -75,22 +120,29 @@ jobs:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies
       run: |
+        brew install gcc@13
         python -m pip install --upgrade pip
-        pip install Cython cibuildwheel twine
+        pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
-        pip install .
-    - name: Test with unittest
-      run: |
-        cd tests
-        python -m unittest
-        cd .. 
+        CC=gcc-13 CXX=g++-13 pip install .
+    # - name: Test with unittest
+    #   run: |
+    #     cd tests
+    #     python -m unittest
+    #     cd .. 
     - name: Build with cibuildwheel
       run: |
         python -m cibuildwheel --output-dir wheelhouse
         ls wheelhouse/
       env:
-        CIBW_BEFORE_BUILD: "pip install numpy"
+        # MACOSX_DEPLOYMENT_TARGET: "10.11"
+        # CIBW_BEFORE_BUILD: "pip install numpy"
+        # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
+        # CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+        CIBW_REPAIR_WHEEL_COMMAND: ""
+        # CC: gcc-13
+        # CXX: g++-13
     - name: Upload with twine
       if: "contains(github.event.head_commit.message, 'PyPI')"
       run: |
@@ -98,54 +150,3 @@ jobs:
       env:
         TWINE_PASSWORD: ${{ secrets.twine_api_key }}
         TWINE_USERNAME: __token__
-  macos:
-    runs-on: macos-11
-    strategy:
-      matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
-        include:
-          - python-version: "3.9"
-            cibw-string: "cp39-*"
-          - python-version: "3.10"
-            cibw-string: "cp310-*"
-          - python-version: "3.11"
-            cibw-string: "cp311-*"
-          - python-version: "3.12"
-            cibw-string: "cp312-*"
-    steps:
-    - uses: actions/checkout@v2
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
-      with:
-        python-version: ${{ matrix.python-version }}
-    - name: Install dependencies
-      run: |
-        brew install gcc@13
-        python -m pip install --upgrade pip
-        pip install Cython matplotlib seaborn cibuildwheel twine
-        pip install -r requirements.txt
-        CC=gcc-13 CXX=g++-13 pip install .
-    - name: Test with unittest
-      run: |
-        cd tests
-        python -m unittest
-        cd .. 
-  #   - name: Build with cibuildwheel
-  #     run: |
-  #       python -m cibuildwheel --output-dir wheelhouse
-  #       ls wheelhouse/
-  #     env:
-  #       MACOSX_DEPLOYMENT_TARGET: "10.11"
-  #       CIBW_BEFORE_BUILD: "pip install numpy"
-  #       CIBW_ARCHS_MACOS: x86_64
-  #       CIBW_BUILD: ${{ matrix.cibw-string }} 
-  #       CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
-  #       CC: gcc-13
-  #       CXX: g++-13
-  #   - name: Upload with twine
-  #     if: "contains(github.event.head_commit.message, 'PyPI')"
-  #     run: |
-  #       python -m twine upload wheelhouse/*.whl
-  #     env:
-  #       TWINE_PASSWORD: ${{ secrets.twine_api_key }}
-  #       TWINE_USERNAME: __token__
diff --git a/doc/conf.py b/doc/conf.py
index b1320c87..6edfc299 100755
--- a/doc/conf.py
+++ b/doc/conf.py
@@ -21,7 +21,7 @@
 # -- Project information -----------------------------------------------------
 
 project = u'pygpc'
-copyright = u'2023, Konstantin Weise'
+copyright = u'2024, Konstantin Weise'
 author = u'Konstantin Weise'
 
 # The short X.Y version
diff --git a/pygpc/GPC.py b/pygpc/GPC.py
index f6deeb69..23593d69 100755
--- a/pygpc/GPC.py
+++ b/pygpc/GPC.py
@@ -12,18 +12,10 @@
 from .misc import nrmsd
 from .misc import mat2ten
 from .misc import ten2mat
-from .pygpc_extensions import create_gpc_matrix_cpu
-from .pygpc_extensions import create_gpc_matrix_omp
 from .ValidationSet import *
 from .Computation import *
 from .Grid import *
 
-
-try:
-    from .pygpc_extensions_cuda import create_gpc_matrix_cuda
-except ImportError:
-    pass
-
 try:
     import fastmat as fm
 except ImportError:
@@ -220,56 +212,44 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
 
         iprint('Constructing gPC matrix...', verbose=verbose, tab=0)
 
-        # Python backend
-        if self.backend == "python":
-            if not gradient:
-                gpc_matrix = np.ones([x.shape[0], len(b)])
-                for i_basis in range(len(b)):
-                    for i_dim in range(self.problem.dim):
-                        gpc_matrix[:, i_basis] *= b[i_basis][i_dim](x[:, i_dim])
-            else:
-                gpc_matrix = np.ones([len(self.gradient_idx), len(b), self.problem.dim])
-                for i_dim_gradient in range(self.problem.dim):
-                    for i_basis in range(len(b)):
-                        for i_dim in range(self.problem.dim):
-                            if i_dim == i_dim_gradient:
-                                derivative = True
-                            else:
-                                derivative = False
-                            gpc_matrix[:, i_basis, i_dim_gradient] *= b[i_basis][i_dim](x[self.gradient_idx, i_dim],
-                                                                                        derivative=derivative)
-
         # CPU backend (CPU single core)
-        elif self.backend == "cpu":
-            if not gradient:
-                # the third dimension is important and should not be removed
-                # otherwise the code could produce undefined behaviour
-                gpc_matrix = np.empty([x.shape[0], len(b), 1])
-                create_gpc_matrix_cpu(x, self.basis.b_array, gpc_matrix)
-                gpc_matrix = np.squeeze(gpc_matrix)
-            else:
-                gpc_matrix = np.empty([len(self.gradient_idx), len(b), self.problem.dim])
-                create_gpc_matrix_cpu(x[self.gradient_idx, :], self.basis.b_array_grad, gpc_matrix)
+        if self.backend == "cpu":
+            try:
+                from .pygpc_extensions import create_gpc_matrix_cpu
+                if not gradient:
+                    # the third dimension is important and should not be removed
+                    # otherwise the code could produce undefined behaviour
+                    gpc_matrix = np.empty([x.shape[0], len(b), 1])
+                    create_gpc_matrix_cpu(x, self.basis.b_array, gpc_matrix)
+                    gpc_matrix = np.squeeze(gpc_matrix)
+                else:
+                    gpc_matrix = np.empty([len(self.gradient_idx), len(b), self.problem.dim])
+                    create_gpc_matrix_cpu(x[self.gradient_idx, :], self.basis.b_array_grad, gpc_matrix)
+            except (ImportError):
+                print("The CPU-extension is not installed. Fall back to pure Python as backend.")
+                self.backend = "python"
 
         # OpenMP backend (CPU multi core)
         elif self.backend == "omp":
-            if not gradient:
-                # the third dimension is important and should not be removed
-                # otherwise the code could produce undefined behaviour
-                gpc_matrix = np.empty([x.shape[0], len(b), 1])
-                create_gpc_matrix_omp(x, self.basis.b_array, gpc_matrix)
-                gpc_matrix = np.squeeze(gpc_matrix)
-            else:
-                gpc_matrix = np.empty([len(self.gradient_idx), len(b), self.problem.dim])
-                create_gpc_matrix_omp(x[self.gradient_idx, :], self.basis.b_array_grad, gpc_matrix)
+            try:
+                from .pygpc_extensions import create_gpc_matrix_omp
+                if not gradient:
+                    # the third dimension is important and should not be removed
+                    # otherwise the code could produce undefined behaviour
+                    gpc_matrix = np.empty([x.shape[0], len(b), 1])
+                    create_gpc_matrix_omp(x, self.basis.b_array, gpc_matrix)
+                    gpc_matrix = np.squeeze(gpc_matrix)
+                else:
+                    gpc_matrix = np.empty([len(self.gradient_idx), len(b), self.problem.dim])
+                    create_gpc_matrix_omp(x[self.gradient_idx, :], self.basis.b_array_grad, gpc_matrix)
+            except (ImportError):
+                print("The OMP-extension is not installed. Fall back to pure Python as backend.")
+                self.backend = "python"
 
         # CUDA backend (GPU multi core)
         elif self.backend == "cuda":
             try:
                 from .pygpc_extensions_cuda import create_gpc_matrix_cuda
-            except (ImportError):
-                raise NotImplementedError("The CUDA-extension is not installed. Use the build script to install.")
-            else:
                 if not gradient:
                     # the third dimension is important and should not be removed
                     # otherwise the code could produce undefined behaviour
@@ -279,7 +259,28 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
                 else:
                     gpc_matrix = np.empty([len(self.gradient_idx), len(b), self.problem.dim])
                     create_gpc_matrix_cuda(x[self.gradient_idx, :], self.basis.b_array_grad, gpc_matrix)
+            except (ImportError):
+                print("The CUDA-extension is not installed. Fall back to pure Python as backend.")
+                self.backend = "python"
 
+        # Python backend
+        if self.backend == "python":
+            if not gradient:
+                gpc_matrix = np.ones([x.shape[0], len(b)])
+                for i_basis in range(len(b)):
+                    for i_dim in range(self.problem.dim):
+                        gpc_matrix[:, i_basis] *= b[i_basis][i_dim](x[:, i_dim])
+            else:
+                gpc_matrix = np.ones([len(self.gradient_idx), len(b), self.problem.dim])
+                for i_dim_gradient in range(self.problem.dim):
+                    for i_basis in range(len(b)):
+                        for i_dim in range(self.problem.dim):
+                            if i_dim == i_dim_gradient:
+                                derivative = True
+                            else:
+                                derivative = False
+                            gpc_matrix[:, i_basis, i_dim_gradient] *= b[i_basis][i_dim](x[self.gradient_idx, i_dim],
+                                                                                        derivative=derivative)
         else:
             raise NotImplementedError
 
@@ -636,6 +637,15 @@ def get_approximation(self, coeffs, x, output_idx=None):
         if self.p_matrix is not None:
             x = np.matmul(x, self.p_matrix.transpose() / self.p_matrix_norm[np.newaxis, :])
 
+        if self.backend == "cuda":
+            try:
+                from .pygpc_extensions_cuda import get_approximation_cuda
+                pce = np.empty([x.shape[0], coeffs.shape[1]])
+                get_approximation_cuda(x, self.basis.b_array, coeffs, pce)
+            except ImportError:
+                print("The CUDA-extension is not installed. Fall back to pure Python as backend.")
+                self.backend = "python"
+
         if self.backend == 'python' or self.backend == 'cpu' or self.backend == 'omp':
             # determine gPC matrix at coordinates x
             gpc_matrix = self.create_gpc_matrix(self.basis.b, x, gradient=False)
@@ -643,14 +653,6 @@ def get_approximation(self, coeffs, x, output_idx=None):
             # multiply with gPC coeffs
             pce = np.matmul(gpc_matrix, coeffs)
 
-        elif self.backend == "cuda":
-            try:
-                from .pygpc_extensions_cuda import get_approximation_cuda
-            except ImportError:
-                raise NotImplementedError("The CUDA-extension is not installed. Use the build script to install.")
-            else:
-                pce = np.empty([x.shape[0], coeffs.shape[1]])
-                get_approximation_cuda(x, self.basis.b_array, coeffs, pce)
         else:
             raise NotImplementedError
 
diff --git a/setup.py b/setup.py
index 7105815b..f10637a7 100755
--- a/setup.py
+++ b/setup.py
@@ -1,5 +1,5 @@
-import argparse
 import os
+import sys
 import numpy as np
 from setuptools import setup, find_packages, Extension
 
@@ -8,7 +8,7 @@
 # analysis of complex systems. See also:
 # https://github.com/pygpc-polynomial-chaos/pygpc
 #
-# Copyright (C) 2017-2023 the original author (Konstantin Weise),
+# Copyright (C) 2017-2024 the original author (Konstantin Weise),
 # the Max-Planck-Institute for Human Cognitive Brain Sciences ("MPI CBS")
 # and contributors
 #
@@ -32,12 +32,14 @@
 pygpc_extensions_include_path = [os.path.join('pckg', 'pygpc_extensions',
                                               'include'), np.get_include()]
 
-extensions = [Extension('pygpc.pygpc_extensions',
-                        sources=pygpc_extensions_src_file_path,
-                        include_dirs=pygpc_extensions_include_path,
-                        extra_compile_args=openmp_compile_args,
-                        extra_link_args=openmp_link_args)]
-
+if sys.platform == 'darwin':
+  extensions = []
+else:
+  extensions = [Extension('pygpc.pygpc_extensions',
+                      sources=pygpc_extensions_src_file_path,
+                      include_dirs=pygpc_extensions_include_path,
+                      extra_compile_args=openmp_compile_args,
+                      extra_link_args=openmp_link_args)]
 
 setup(name='pygpc',
       version='0.3.9',

From 642ac6dcad806d68e471aaff4d51639f3c484989 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Thu, 11 Jul 2024 13:05:02 +0200
Subject: [PATCH 02/19] Remove OSX build test

---
 .github/workflows/main.yml | 194 ++++++++++++++++++-------------------
 1 file changed, 97 insertions(+), 97 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 0e87b6b0..0d89e8b2 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -6,98 +6,98 @@ on:
   pull_request:
     branches: [ master, develop ]
 jobs:
-  # linux:
-  #   runs-on: ubuntu-latest
-  #   strategy:
-  #     matrix:
-  #       python-version: ["3.9", "3.10", "3.11", "3.12"]
-  #       include:
-  #         - python-version: "3.9"
-  #           cibw-string: "cp39-*"
-  #         - python-version: "3.10"
-  #           cibw-string: "cp310-*"
-  #         - python-version: "3.11"
-  #           cibw-string: "cp311-*"
-  #         - python-version: "3.12"
-  #           cibw-string: "cp312-*"
-  #   steps:
-  #   - uses: actions/checkout@v2
-  #   - name: Set up Python ${{ matrix.python-version }}
-  #     uses: actions/setup-python@v1
-  #     with:
-  #       python-version: ${{ matrix.python-version }}
-  #   - name: Install dependencies
-  #     run: |
-  #       python -m pip install --upgrade pip
-  #       pip install Cython cibuildwheel twine
-  #       pip install -r requirements.txt
-  #       pip install .
-  #   - name: Test with unittest
-  #     run: |
-  #       cd tests
-  #       python -m unittest
-  #       cd .. 
-  #   - name: Build with cibuildwheel
-  #     run: |
-  #       python -m cibuildwheel --output-dir wheelhouse
-  #       ls wheelhouse/
-  #     env:
-  #       CIBW_MANYLINUX_X86_64_IMAGE: "manylinux2014"
-  #       CIBW_BEFORE_BUILD: "pip install numpy"
-  #       CIBW_BUILD: ${{ matrix.cibw-string }}
-  #       CIBW_SKIP: "*-musllinux_* *i686*"
-  #   - name: Upload with twine
-  #     if: "contains(github.event.head_commit.message, 'PyPI')"
-  #     run: |
-  #       python -m twine upload wheelhouse/*.whl
-  #     env:
-  #       TWINE_PASSWORD: ${{ secrets.twine_api_key }}
-  #       TWINE_USERNAME: __token__
-  # windows:
-  #   runs-on: windows-2019
-  #   strategy:
-  #     matrix:
-  #       python-version: ["3.9", "3.10", "3.11", "3.12"]
-  #       include:
-  #         - python-version: "3.9"
-  #           cibw-string: "cp39-*"
-  #         - python-version: "3.10"
-  #           cibw-string: "cp310-*"
-  #         - python-version: "3.11"
-  #           cibw-string: "cp311-*"
-  #         - python-version: "3.12"
-  #           cibw-string: "cp312-*"
-  #   steps:
-  #   - uses: actions/checkout@v2
-  #   - name: Set up Python ${{ matrix.python-version }}
-  #     uses: actions/setup-python@v1
-  #     with:
-  #       python-version: ${{ matrix.python-version }}
-  #   - name: Install dependencies
-  #     run: |
-  #       python -m pip install --upgrade pip
-  #       pip install Cython cibuildwheel twine
-  #       pip install -r requirements.txt
-  #       pip install .
-  #   - name: Test with unittest
-  #     run: |
-  #       cd tests
-  #       python -m unittest
-  #       cd .. 
-  #   - name: Build with cibuildwheel
-  #     run: |
-  #       python -m cibuildwheel --output-dir wheelhouse
-  #       ls wheelhouse/
-  #     env:
-  #       CIBW_BEFORE_BUILD: "pip install numpy"
-  #       CIBW_BUILD: ${{ matrix.cibw-string }} 
-  #   - name: Upload with twine
-  #     if: "contains(github.event.head_commit.message, 'PyPI')"
-  #     run: |
-  #       python -m twine upload wheelhouse/*.whl
-  #     env:
-  #       TWINE_PASSWORD: ${{ secrets.twine_api_key }}
-  #       TWINE_USERNAME: __token__
+  linux:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        include:
+          - python-version: "3.9"
+            cibw-string: "cp39-*"
+          - python-version: "3.10"
+            cibw-string: "cp310-*"
+          - python-version: "3.11"
+            cibw-string: "cp311-*"
+          - python-version: "3.12"
+            cibw-string: "cp312-*"
+    steps:
+    - uses: actions/checkout@v2
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v1
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install Cython cibuildwheel twine
+        pip install -r requirements.txt
+        pip install .
+    - name: Test with unittest
+      run: |
+        cd tests
+        python -m unittest
+        cd .. 
+    - name: Build with cibuildwheel
+      run: |
+        python -m cibuildwheel --output-dir wheelhouse
+        ls wheelhouse/
+      env:
+        CIBW_MANYLINUX_X86_64_IMAGE: "manylinux2014"
+        CIBW_BEFORE_BUILD: "pip install numpy"
+        CIBW_BUILD: ${{ matrix.cibw-string }}
+        CIBW_SKIP: "*-musllinux_* *i686*"
+    - name: Upload with twine
+      if: "contains(github.event.head_commit.message, 'PyPI')"
+      run: |
+        python -m twine upload wheelhouse/*.whl
+      env:
+        TWINE_PASSWORD: ${{ secrets.twine_api_key }}
+        TWINE_USERNAME: __token__
+  windows:
+    runs-on: windows-2019
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        include:
+          - python-version: "3.9"
+            cibw-string: "cp39-*"
+          - python-version: "3.10"
+            cibw-string: "cp310-*"
+          - python-version: "3.11"
+            cibw-string: "cp311-*"
+          - python-version: "3.12"
+            cibw-string: "cp312-*"
+    steps:
+    - uses: actions/checkout@v2
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v1
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install Cython cibuildwheel twine
+        pip install -r requirements.txt
+        pip install .
+    - name: Test with unittest
+      run: |
+        cd tests
+        python -m unittest
+        cd .. 
+    - name: Build with cibuildwheel
+      run: |
+        python -m cibuildwheel --output-dir wheelhouse
+        ls wheelhouse/
+      env:
+        CIBW_BEFORE_BUILD: "pip install numpy"
+        CIBW_BUILD: ${{ matrix.cibw-string }} 
+    - name: Upload with twine
+      if: "contains(github.event.head_commit.message, 'PyPI')"
+      run: |
+        python -m twine upload wheelhouse/*.whl
+      env:
+        TWINE_PASSWORD: ${{ secrets.twine_api_key }}
+        TWINE_USERNAME: __token__
   macos:
     runs-on: macos-11
     strategy:
@@ -125,11 +125,11 @@ jobs:
         pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Test with unittest
-    #   run: |
-    #     cd tests
-    #     python -m unittest
-    #     cd .. 
+    - name: Test with unittest
+      run: |
+        cd tests
+        python -m unittest
+        cd .. 
     - name: Build with cibuildwheel
       run: |
         python -m cibuildwheel --output-dir wheelhouse

From 8b13d045bd191d2ac23ca028b6a44dd8c92c9f35 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Tue, 16 Jul 2024 22:12:14 +0200
Subject: [PATCH 03/19] [MOD] - updated numpy version in requirements.txt to
 <2.0.0

---
 build_pygpc_extensions_cuda.py | 19 +++++++++++--------
 requirements.txt               |  2 +-
 2 files changed, 12 insertions(+), 9 deletions(-)

diff --git a/build_pygpc_extensions_cuda.py b/build_pygpc_extensions_cuda.py
index ed76528a..b4b73acd 100755
--- a/build_pygpc_extensions_cuda.py
+++ b/build_pygpc_extensions_cuda.py
@@ -5,18 +5,21 @@
 
 
 def build_pygpc_extensions_cuda():
-    ext_prefix = sysconfig.get_config_var('EXT_SUFFIX').split('.')
+    ext_prefix = sysconfig.get_config_var("EXT_SUFFIX").split(".")
     ext_prefix = ext_prefix[1]
-    configure_command = ['cmake', '-B'+os.path.join('build', 'pygpc_extensions_cuda'),
-                         '-H'+os.path.join('pckg','pygpc_extensions_cuda'),
-                         '-DPROJECT_ROOT_PATH='+os.getcwd(),
-                         '-DNumPy_INCLUDE_DIRS='+np.get_include(),
-                         '-DEXT_PREFIX='+ext_prefix]
+    configure_command = [
+        "cmake",
+        "-B" + os.path.join("build", "pygpc_extensions_cuda"),
+        "-H" + os.path.join("pckg", "pygpc_extensions_cuda"),
+        "-DPROJECT_ROOT_PATH=" + os.getcwd(),
+        "-DNumPy_INCLUDE_DIRS=" + np.get_include(),
+        "-DEXT_PREFIX=" + ext_prefix,
+    ]
     subprocess.run(configure_command)
-    build_commad = ['cmake', '--build', os.path.join('build', 'pygpc_extensions_cuda')]
+    build_commad = ["cmake", "--build", os.path.join("build", "pygpc_extensions_cuda")]
     print(build_commad)
     subprocess.run(build_commad)
 
 
-if __name__ == '__main__':
+if __name__ == "__main__":
     build_pygpc_extensions_cuda()
diff --git a/requirements.txt b/requirements.txt
index 79b9d622..6ad4d61a 100755
--- a/requirements.txt
+++ b/requirements.txt
@@ -1,5 +1,5 @@
 scipy>=1.10.0
-numpy>=1.24.1
+numpy>=1.24.1,<2.0.0
 fastmat>=0.2.post0
 scikit-learn>=1.2.0
 h5py>=3.7.0

From b1b2199aaf2e3f7db29337d4aabb6d50b4ba258e Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Tue, 16 Jul 2024 23:04:49 +0200
Subject: [PATCH 04/19] [MOD] - GPC.py

---
 pygpc/GPC.py | 17 ++++++++---------
 1 file changed, 8 insertions(+), 9 deletions(-)

diff --git a/pygpc/GPC.py b/pygpc/GPC.py
index 23593d69..2a1fb548 100755
--- a/pygpc/GPC.py
+++ b/pygpc/GPC.py
@@ -212,8 +212,11 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
 
         iprint('Constructing gPC matrix...', verbose=verbose, tab=0)
 
-        # CPU backend (CPU single core)
+        if self.backend not in ["cpu", "omp", "cuda", "python"]:
+            raise NotImplementedError(f"Backend {self.backend} is not implemented")
+
         if self.backend == "cpu":
+            # CPU backend (CPU single core)
             try:
                 from .pygpc_extensions import create_gpc_matrix_cpu
                 if not gradient:
@@ -228,9 +231,8 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
             except (ImportError):
                 print("The CPU-extension is not installed. Fall back to pure Python as backend.")
                 self.backend = "python"
-
-        # OpenMP backend (CPU multi core)
         elif self.backend == "omp":
+            # OpenMP backend (CPU multi core)
             try:
                 from .pygpc_extensions import create_gpc_matrix_omp
                 if not gradient:
@@ -245,9 +247,8 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
             except (ImportError):
                 print("The OMP-extension is not installed. Fall back to pure Python as backend.")
                 self.backend = "python"
-
-        # CUDA backend (GPU multi core)
         elif self.backend == "cuda":
+            # CUDA backend (GPU multi core)
             try:
                 from .pygpc_extensions_cuda import create_gpc_matrix_cuda
                 if not gradient:
@@ -262,9 +263,9 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
             except (ImportError):
                 print("The CUDA-extension is not installed. Fall back to pure Python as backend.")
                 self.backend = "python"
-
-        # Python backend
+                
         if self.backend == "python":
+            # Python backend
             if not gradient:
                 gpc_matrix = np.ones([x.shape[0], len(b)])
                 for i_basis in range(len(b)):
@@ -281,8 +282,6 @@ def create_gpc_matrix(self, b, x, gradient=False, gradient_idx=None, weighted=Fa
                                 derivative = False
                             gpc_matrix[:, i_basis, i_dim_gradient] *= b[i_basis][i_dim](x[self.gradient_idx, i_dim],
                                                                                         derivative=derivative)
-        else:
-            raise NotImplementedError
 
         if gpc_matrix.ndim == 1 and x.shape[0] == 1:
             gpc_matrix = gpc_matrix[np.newaxis, :]

From 97019b34c729c9973988be94cb73eff2f5452bc9 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Tue, 16 Jul 2024 23:10:42 +0200
Subject: [PATCH 05/19] [MOD] - updated osx runner to osx-14

---
 .github/workflows/main.yml |  2 +-
 setup.py                   | 88 ++++++++++++++++++++++----------------
 2 files changed, 52 insertions(+), 38 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 0d89e8b2..64b254b4 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -99,7 +99,7 @@ jobs:
         TWINE_PASSWORD: ${{ secrets.twine_api_key }}
         TWINE_USERNAME: __token__
   macos:
-    runs-on: macos-11
+    runs-on: macos-14
     strategy:
       matrix:
         python-version: ["3.9", "3.10", "3.11", "3.12"]
diff --git a/setup.py b/setup.py
index f10637a7..e0325dae 100755
--- a/setup.py
+++ b/setup.py
@@ -25,43 +25,57 @@
 # You should have received a copy of the GNU General Public License
 # along with this program.  If not, see <https://www.gnu.org/licenses/>
 
-openmp_compile_args = ['-fopenmp']
-openmp_link_args = ['-lgomp']
-pygpc_extensions_src_file_path = [os.path.join('pckg', 'pygpc_extensions',
-                                               'src', 'pygpc_extensions.cpp')]
-pygpc_extensions_include_path = [os.path.join('pckg', 'pygpc_extensions',
-                                              'include'), np.get_include()]
+openmp_compile_args = ["-fopenmp"]
+openmp_link_args = ["-lgomp"]
+pygpc_extensions_src_file_path = [
+    os.path.join("pckg", "pygpc_extensions", "src", "pygpc_extensions.cpp")
+]
+pygpc_extensions_include_path = [
+    os.path.join("pckg", "pygpc_extensions", "include"),
+    np.get_include(),
+]
 
-if sys.platform == 'darwin':
-  extensions = []
-else:
-  extensions = [Extension('pygpc.pygpc_extensions',
-                      sources=pygpc_extensions_src_file_path,
-                      include_dirs=pygpc_extensions_include_path,
-                      extra_compile_args=openmp_compile_args,
-                      extra_link_args=openmp_link_args)]
+# if sys.platform == 'darwin':
+#   extensions = []
+# else:
+#   extensions = [Extension('pygpc.pygpc_extensions',
+#                       sources=pygpc_extensions_src_file_path,
+#                       include_dirs=pygpc_extensions_include_path,
+#                       extra_compile_args=openmp_compile_args,
+#                       extra_link_args=openmp_link_args)]
 
-setup(name='pygpc',
-      version='0.3.9',
-      description='A sensitivity and uncertainty analysis toolbox for Python',
-      author='Konstantin Weise',
-      author_email='kweise@cbs.mpg.de',
-      license='GPL3',
-      packages=find_packages(exclude=['tests',
-                                      'tests.*',
-                                      'templates',
-                                      'templates.*']),
-      install_requires=['scipy',
-                        'numpy',
-                        'scikit-learn',
-                        'h5py',
-                        'tqdm',
-                        'pandas',
-                        ],
-      ext_modules=extensions,
-      package_data={'pygpc': ['*.so', '*.dll', '*.dylib']},
-      project_urls={
+extensions = [
+    Extension(
+        "pygpc.pygpc_extensions",
+        sources=pygpc_extensions_src_file_path,
+        include_dirs=pygpc_extensions_include_path,
+        extra_compile_args=openmp_compile_args,
+        extra_link_args=openmp_link_args,
+    )
+]
+
+setup(
+    name="pygpc",
+    version="0.3.9",
+    description="A sensitivity and uncertainty analysis toolbox for Python",
+    author="Konstantin Weise",
+    author_email="kweise@cbs.mpg.de",
+    license="GPL3",
+    packages=find_packages(exclude=["tests", "tests.*", "templates", "templates.*"]),
+    install_requires=[
+        "scipy",
+        "numpy",
+        "scikit-learn",
+        "h5py",
+        "tqdm",
+        "pandas",
+    ],
+    ext_modules=extensions,
+    package_data={"pygpc": ["*.so", "*.dll", "*.dylib"]},
+    project_urls={
         "Documentation": "https://pygpc.readthedocs.io/en/latest/",
-        "Source Code": "https://github.com/pygpc-polynomial-chaos/pygpc"},
-      zip_safe=False,
-      include_package_data=True)
\ No newline at end of file
+        "Source Code": "https://github.com/pygpc-polynomial-chaos/pygpc",
+    },
+    zip_safe=False,
+    include_package_data=True,
+)

From 2ba4603d609bbcbbdbbc506558646573e5eee33d Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Tue, 16 Jul 2024 23:11:53 +0200
Subject: [PATCH 06/19] [MOD] - changed delocate config

---
 .github/workflows/main.yml | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 64b254b4..ef9828b7 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -136,13 +136,13 @@ jobs:
         ls wheelhouse/
       env:
         # MACOSX_DEPLOYMENT_TARGET: "10.11"
-        # CIBW_BEFORE_BUILD: "pip install numpy"
+        CIBW_BEFORE_BUILD: "pip install numpy"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
-        # CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
-        CIBW_REPAIR_WHEEL_COMMAND: ""
-        # CC: gcc-13
-        # CXX: g++-13
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+        # CIBW_REPAIR_WHEEL_COMMAND: ""
+        CC: gcc-13
+        CXX: g++-13
     - name: Upload with twine
       if: "contains(github.event.head_commit.message, 'PyPI')"
       run: |

From eb30a33450c902f48cd128a953efd9a6f2d475ca Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 09:15:56 +0200
Subject: [PATCH 07/19] [MOD] - changed GihHub Actions checkout and
 setup-python versions

---
 .github/workflows/main.yml | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index ef9828b7..4fa5174d 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -21,9 +21,9 @@ jobs:
           - python-version: "3.12"
             cibw-string: "cp312-*"
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies
@@ -68,9 +68,9 @@ jobs:
           - python-version: "3.12"
             cibw-string: "cp312-*"
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies
@@ -113,9 +113,9 @@ jobs:
           - python-version: "3.12"
             cibw-string: "cp312-*"
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies

From 3b7a4ce817be6420692f02e852fea61b978e6d59 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 09:47:54 +0200
Subject: [PATCH 08/19] OSX build test

---
 .github/workflows/main.yml | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 4fa5174d..dc4432ab 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -125,11 +125,11 @@ jobs:
         pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
-    - name: Test with unittest
-      run: |
-        cd tests
-        python -m unittest
-        cd .. 
+    # - name: Test with unittest
+    #   run: |
+    #     cd tests
+    #     python -m unittest
+    #     cd .. 
     - name: Build with cibuildwheel
       run: |
         python -m cibuildwheel --output-dir wheelhouse
@@ -139,7 +139,7 @@ jobs:
         CIBW_BEFORE_BUILD: "pip install numpy"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
         # CIBW_REPAIR_WHEEL_COMMAND: ""
         CC: gcc-13
         CXX: g++-13

From 28fa77b3fc68f1a96b721fcf0ab32ce639fd61a0 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 10:03:50 +0200
Subject: [PATCH 09/19] Another OSX build test

---
 .github/workflows/main.yml | 37 ++++++++++++++++++++++++-------------
 1 file changed, 24 insertions(+), 13 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index dc4432ab..170b003b 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -122,27 +122,38 @@ jobs:
       run: |
         brew install gcc@13
         python -m pip install --upgrade pip
-        pip install Cython matplotlib seaborn cibuildwheel twine
+        pip install Cython matplotlib seaborn setuptools wheel delocate twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
+    # - name: Install dependencies
+    #   run: |
+    #     brew install gcc@13
+    #     python -m pip install --upgrade pip
+    #     pip install Cython matplotlib seaborn cibuildwheel twine
+    #     pip install -r requirements.txt
+    #     CC=gcc-13 CXX=g++-13 pip install .
     # - name: Test with unittest
     #   run: |
     #     cd tests
     #     python -m unittest
     #     cd .. 
-    - name: Build with cibuildwheel
+    # - name: Build with cibuildwheel
+    #   run: |
+    #     python -m cibuildwheel --output-dir wheelhouse
+    #     ls wheelhouse/
+    #   env:
+    #     # MACOSX_DEPLOYMENT_TARGET: "10.11"
+    #     CIBW_BEFORE_BUILD: "pip install numpy"
+    #     # CIBW_ARCHS_MACOS: x86_64
+    #     CIBW_BUILD: ${{ matrix.cibw-string }} 
+    #     CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
+    #     # CIBW_REPAIR_WHEEL_COMMAND: ""
+    #     CC: gcc-13
+    #     CXX: g++-13
+    - name: Build on GitHub runner
       run: |
-        python -m cibuildwheel --output-dir wheelhouse
-        ls wheelhouse/
-      env:
-        # MACOSX_DEPLOYMENT_TARGET: "10.11"
-        CIBW_BEFORE_BUILD: "pip install numpy"
-        # CIBW_ARCHS_MACOS: x86_64
-        CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
-        # CIBW_REPAIR_WHEEL_COMMAND: ""
-        CC: gcc-13
-        CXX: g++-13
+        CC=gcc-13 CXX=g++-13 python setup.py bdist_wheel
+        delocate-listdeps dist/*.whl && delocate-wheel -w wheelhouse -v dist/*.whl
     - name: Upload with twine
       if: "contains(github.event.head_commit.message, 'PyPI')"
       run: |

From 674cb506238a8bb8659cdc8db495c62c018592f3 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 10:08:38 +0200
Subject: [PATCH 10/19] Yet another OSX build test

---
 .github/workflows/main.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 170b003b..ac61ac03 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -153,7 +153,7 @@ jobs:
     - name: Build on GitHub runner
       run: |
         CC=gcc-13 CXX=g++-13 python setup.py bdist_wheel
-        delocate-listdeps dist/*.whl && delocate-wheel -w wheelhouse -v dist/*.whl
+        delocate-listdeps dist/*.whl && delocate-wheel --require-archs universal2 -w wheelhouse -v dist/*.whl
     - name: Upload with twine
       if: "contains(github.event.head_commit.message, 'PyPI')"
       run: |

From df36513eaedffad81f573b34b3a9b95ec8c45893 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 10:10:45 +0200
Subject: [PATCH 11/19] Yet another OSX build test

---
 .github/workflows/main.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index ac61ac03..44ffa804 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -153,7 +153,7 @@ jobs:
     - name: Build on GitHub runner
       run: |
         CC=gcc-13 CXX=g++-13 python setup.py bdist_wheel
-        delocate-listdeps dist/*.whl && delocate-wheel --require-archs universal2 -w wheelhouse -v dist/*.whl
+        delocate-listdeps dist/*.whl && delocate-wheel --require-archs arm64 -w wheelhouse -v dist/*.whl
     - name: Upload with twine
       if: "contains(github.event.head_commit.message, 'PyPI')"
       run: |

From 10b859159b95f117e7c15648de43dc958d9fcf43 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 12:32:55 +0200
Subject: [PATCH 12/19] Yet another OSX build test

---
 .github/workflows/main.yml | 29 ++++++++++++-----------------
 1 file changed, 12 insertions(+), 17 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 44ffa804..afa5af5e 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -122,7 +122,7 @@ jobs:
       run: |
         brew install gcc@13
         python -m pip install --upgrade pip
-        pip install Cython matplotlib seaborn setuptools wheel delocate twine
+        pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
     # - name: Install dependencies
@@ -137,23 +137,18 @@ jobs:
     #     cd tests
     #     python -m unittest
     #     cd .. 
-    # - name: Build with cibuildwheel
-    #   run: |
-    #     python -m cibuildwheel --output-dir wheelhouse
-    #     ls wheelhouse/
-    #   env:
-    #     # MACOSX_DEPLOYMENT_TARGET: "10.11"
-    #     CIBW_BEFORE_BUILD: "pip install numpy"
-    #     # CIBW_ARCHS_MACOS: x86_64
-    #     CIBW_BUILD: ${{ matrix.cibw-string }} 
-    #     CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
-    #     # CIBW_REPAIR_WHEEL_COMMAND: ""
-    #     CC: gcc-13
-    #     CXX: g++-13
-    - name: Build on GitHub runner
+    - name: Build with cibuildwheel
       run: |
-        CC=gcc-13 CXX=g++-13 python setup.py bdist_wheel
-        delocate-listdeps dist/*.whl && delocate-wheel --require-archs arm64 -w wheelhouse -v dist/*.whl
+        python -m cibuildwheel --output-dir wheelhouse
+        ls wheelhouse/
+      env:
+        MACOSX_DEPLOYMENT_TARGET: "10.14"
+        CIBW_BEFORE_BUILD: "pip install numpy"
+        # CIBW_ARCHS_MACOS: x86_64
+        CIBW_BUILD: ${{ matrix.cibw-string }} 
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
+        CC: gcc-13
+        CXX: g++-13
     - name: Upload with twine
       if: "contains(github.event.head_commit.message, 'PyPI')"
       run: |

From 5f87454ed403fbb7a8f94b31da831bb1b7fbc9ff Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 12:39:26 +0200
Subject: [PATCH 13/19] Yet another OSX build test

---
 .github/workflows/main.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index afa5af5e..2cb464eb 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -146,7 +146,7 @@ jobs:
         CIBW_BEFORE_BUILD: "pip install numpy"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
+        CIBW_REPAIR_WHEEL_COMMAND: "MACOSX_DEPLOYMENT_TARGET=10.14 delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
         CC: gcc-13
         CXX: g++-13
     - name: Upload with twine

From e02d4f362081c3cae4d9a53b43d0f726e56998ed Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 12:42:56 +0200
Subject: [PATCH 14/19] Yet another OSX build test

---
 .github/workflows/main.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 2cb464eb..17cc8fdb 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -142,11 +142,11 @@ jobs:
         python -m cibuildwheel --output-dir wheelhouse
         ls wheelhouse/
       env:
-        MACOSX_DEPLOYMENT_TARGET: "10.14"
+        MACOSX_DEPLOYMENT_TARGET: "14.0"
         CIBW_BEFORE_BUILD: "pip install numpy"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "MACOSX_DEPLOYMENT_TARGET=10.14 delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
+        CIBW_REPAIR_WHEEL_COMMAND: "MACOSX_DEPLOYMENT_TARGET=14.0 delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
         CC: gcc-13
         CXX: g++-13
     - name: Upload with twine

From a1ba02b6d4bc68470b69f254da575cac2da0fe93 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 12:45:54 +0200
Subject: [PATCH 15/19] Yet another OSX build test

---
 .github/workflows/main.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 17cc8fdb..a95a72a6 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -142,11 +142,11 @@ jobs:
         python -m cibuildwheel --output-dir wheelhouse
         ls wheelhouse/
       env:
-        MACOSX_DEPLOYMENT_TARGET: "14.0"
+        MACOSX_DEPLOYMENT_TARGET: "14"
         CIBW_BEFORE_BUILD: "pip install numpy"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "MACOSX_DEPLOYMENT_TARGET=14.0 delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
         CC: gcc-13
         CXX: g++-13
     - name: Upload with twine

From d48ec12baac6aee2927e99c98433ff386411cd9e Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 12:56:31 +0200
Subject: [PATCH 16/19] Yet another OSX build test

---
 .github/workflows/main.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index a95a72a6..b95f1f66 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -143,7 +143,7 @@ jobs:
         ls wheelhouse/
       env:
         MACOSX_DEPLOYMENT_TARGET: "14"
-        CIBW_BEFORE_BUILD: "pip install numpy"
+        CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
         CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"

From 331d03a874f7e2b4d20b52134ef9cac89a29602d Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 12:58:17 +0200
Subject: [PATCH 17/19] Yet another OSX build test

---
 .github/workflows/main.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index b95f1f66..43f1cfac 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -142,11 +142,11 @@ jobs:
         python -m cibuildwheel --output-dir wheelhouse
         ls wheelhouse/
       env:
-        MACOSX_DEPLOYMENT_TARGET: "14"
+        # MACOSX_DEPLOYMENT_TARGET: "14"
         CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
         # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} --require-target-macos-version 10.14 -w {dest_dir} -v {wheel}"
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
         CC: gcc-13
         CXX: g++-13
     - name: Upload with twine

From 7fc15863395b4e2961220a4debf9a08e132f567f Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 13:03:45 +0200
Subject: [PATCH 18/19] Yet another OSX build test

---
 .github/workflows/main.yml | 119 ++++++++++++++++++++++++++++++++++++-
 1 file changed, 116 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 43f1cfac..72feefe6 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -98,7 +98,7 @@ jobs:
       env:
         TWINE_PASSWORD: ${{ secrets.twine_api_key }}
         TWINE_USERNAME: __token__
-  macos:
+  macos_arm:
     runs-on: macos-14
     strategy:
       matrix:
@@ -142,9 +142,122 @@ jobs:
         python -m cibuildwheel --output-dir wheelhouse
         ls wheelhouse/
       env:
-        # MACOSX_DEPLOYMENT_TARGET: "14"
+        MACOSX_DEPLOYMENT_TARGET: "10.14"
+        CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
+        CIBW_BUILD: ${{ matrix.cibw-string }} 
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+        CC: gcc-13
+        CXX: g++-13
+    - name: Upload with twine
+      if: "contains(github.event.head_commit.message, 'PyPI')"
+      run: |
+        python -m twine upload wheelhouse/*.whl
+      env:
+        TWINE_PASSWORD: ${{ secrets.twine_api_key }}
+        TWINE_USERNAME: __token__
+  macos_arm64:
+    runs-on: macos-14
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        include:
+          - python-version: "3.9"
+            cibw-string: "cp39-*"
+          - python-version: "3.10"
+            cibw-string: "cp310-*"
+          - python-version: "3.11"
+            cibw-string: "cp311-*"
+          - python-version: "3.12"
+            cibw-string: "cp312-*"
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v5
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        brew install gcc@13
+        python -m pip install --upgrade pip
+        pip install Cython matplotlib seaborn cibuildwheel twine
+        pip install -r requirements.txt
+        CC=gcc-13 CXX=g++-13 pip install .
+    # - name: Install dependencies
+    #   run: |
+    #     brew install gcc@13
+    #     python -m pip install --upgrade pip
+    #     pip install Cython matplotlib seaborn cibuildwheel twine
+    #     pip install -r requirements.txt
+    #     CC=gcc-13 CXX=g++-13 pip install .
+    # - name: Test with unittest
+    #   run: |
+    #     cd tests
+    #     python -m unittest
+    #     cd .. 
+    - name: Build with cibuildwheel
+      run: |
+        python -m cibuildwheel --output-dir wheelhouse
+        ls wheelhouse/
+      env:
+        MACOSX_DEPLOYMENT_TARGET: "10.14"
+        CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
+        CIBW_BUILD: ${{ matrix.cibw-string }} 
+        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+        CC: gcc-13
+        CXX: g++-13
+    - name: Upload with twine
+      if: "contains(github.event.head_commit.message, 'PyPI')"
+      run: |
+        python -m twine upload wheelhouse/*.whl
+      env:
+        TWINE_PASSWORD: ${{ secrets.twine_api_key }}
+        TWINE_USERNAME: __token__
+  macos_x86_64:
+    runs-on: macos-13
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        include:
+          - python-version: "3.9"
+            cibw-string: "cp39-*"
+          - python-version: "3.10"
+            cibw-string: "cp310-*"
+          - python-version: "3.11"
+            cibw-string: "cp311-*"
+          - python-version: "3.12"
+            cibw-string: "cp312-*"
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v5
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        brew install gcc@13
+        python -m pip install --upgrade pip
+        pip install Cython matplotlib seaborn cibuildwheel twine
+        pip install -r requirements.txt
+        CC=gcc-13 CXX=g++-13 pip install .
+    # - name: Install dependencies
+    #   run: |
+    #     brew install gcc@13
+    #     python -m pip install --upgrade pip
+    #     pip install Cython matplotlib seaborn cibuildwheel twine
+    #     pip install -r requirements.txt
+    #     CC=gcc-13 CXX=g++-13 pip install .
+    # - name: Test with unittest
+    #   run: |
+    #     cd tests
+    #     python -m unittest
+    #     cd .. 
+    - name: Build with cibuildwheel
+      run: |
+        python -m cibuildwheel --output-dir wheelhouse
+        ls wheelhouse/
+      env:
+        MACOSX_DEPLOYMENT_TARGET: "10.14"
         CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
-        # CIBW_ARCHS_MACOS: x86_64
         CIBW_BUILD: ${{ matrix.cibw-string }} 
         CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
         CC: gcc-13

From b70fb198674f544bc414bfcdc66ccc1d552bfe51 Mon Sep 17 00:00:00 2001
From: lpossner <lpossner>
Date: Wed, 17 Jul 2024 13:11:42 +0200
Subject: [PATCH 19/19] PyPI Version 0.4.0

---
 .github/workflows/main.yml | 92 ++++++--------------------------------
 setup.py                   | 11 +----
 2 files changed, 15 insertions(+), 88 deletions(-)

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
index 72feefe6..b769862e 100755
--- a/.github/workflows/main.yml
+++ b/.github/workflows/main.yml
@@ -98,7 +98,7 @@ jobs:
       env:
         TWINE_PASSWORD: ${{ secrets.twine_api_key }}
         TWINE_USERNAME: __token__
-  macos_arm:
+  macos_arm64:
     runs-on: macos-14
     strategy:
       matrix:
@@ -125,18 +125,11 @@ jobs:
         pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Install dependencies
-    #   run: |
-    #     brew install gcc@13
-    #     python -m pip install --upgrade pip
-    #     pip install Cython matplotlib seaborn cibuildwheel twine
-    #     pip install -r requirements.txt
-    #     CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Test with unittest
-    #   run: |
-    #     cd tests
-    #     python -m unittest
-    #     cd .. 
+    - name: Test with unittest
+      run: |
+        cd tests
+        python -m unittest
+        cd .. 
     - name: Build with cibuildwheel
       run: |
         python -m cibuildwheel --output-dir wheelhouse
@@ -155,8 +148,8 @@ jobs:
       env:
         TWINE_PASSWORD: ${{ secrets.twine_api_key }}
         TWINE_USERNAME: __token__
-  macos_arm64:
-    runs-on: macos-14
+  macos_x86_64:
+    runs-on: macos-13
     strategy:
       matrix:
         python-version: ["3.9", "3.10", "3.11", "3.12"]
@@ -182,56 +175,6 @@ jobs:
         pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Install dependencies
-    #   run: |
-    #     brew install gcc@13
-    #     python -m pip install --upgrade pip
-    #     pip install Cython matplotlib seaborn cibuildwheel twine
-    #     pip install -r requirements.txt
-    #     CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Test with unittest
-    #   run: |
-    #     cd tests
-    #     python -m unittest
-    #     cd .. 
-    - name: Build with cibuildwheel
-      run: |
-        python -m cibuildwheel --output-dir wheelhouse
-        ls wheelhouse/
-      env:
-        MACOSX_DEPLOYMENT_TARGET: "10.14"
-        CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
-        CIBW_BUILD: ${{ matrix.cibw-string }} 
-        CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
-        CC: gcc-13
-        CXX: g++-13
-    - name: Upload with twine
-      if: "contains(github.event.head_commit.message, 'PyPI')"
-      run: |
-        python -m twine upload wheelhouse/*.whl
-      env:
-        TWINE_PASSWORD: ${{ secrets.twine_api_key }}
-        TWINE_USERNAME: __token__
-  macos_x86_64:
-    runs-on: macos-13
-    strategy:
-      matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
-        include:
-          - python-version: "3.9"
-            cibw-string: "cp39-*"
-          - python-version: "3.10"
-            cibw-string: "cp310-*"
-          - python-version: "3.11"
-            cibw-string: "cp311-*"
-          - python-version: "3.12"
-            cibw-string: "cp312-*"
-    steps:
-    - uses: actions/checkout@v4
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v5
-      with:
-        python-version: ${{ matrix.python-version }}
     - name: Install dependencies
       run: |
         brew install gcc@13
@@ -239,24 +182,17 @@ jobs:
         pip install Cython matplotlib seaborn cibuildwheel twine
         pip install -r requirements.txt
         CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Install dependencies
-    #   run: |
-    #     brew install gcc@13
-    #     python -m pip install --upgrade pip
-    #     pip install Cython matplotlib seaborn cibuildwheel twine
-    #     pip install -r requirements.txt
-    #     CC=gcc-13 CXX=g++-13 pip install .
-    # - name: Test with unittest
-    #   run: |
-    #     cd tests
-    #     python -m unittest
-    #     cd .. 
+    - name: Test with unittest
+      run: |
+        cd tests
+        python -m unittest
+        cd .. 
     - name: Build with cibuildwheel
       run: |
         python -m cibuildwheel --output-dir wheelhouse
         ls wheelhouse/
       env:
-        MACOSX_DEPLOYMENT_TARGET: "10.14"
+        MACOSX_DEPLOYMENT_TARGET: "10.13"
         CIBW_BEFORE_BUILD: "pip install numpy delocate==0.10.7"
         CIBW_BUILD: ${{ matrix.cibw-string }} 
         CIBW_REPAIR_WHEEL_COMMAND: "delocate-listdeps {wheel} && delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
diff --git a/setup.py b/setup.py
index e0325dae..bca69f29 100755
--- a/setup.py
+++ b/setup.py
@@ -35,15 +35,6 @@
     np.get_include(),
 ]
 
-# if sys.platform == 'darwin':
-#   extensions = []
-# else:
-#   extensions = [Extension('pygpc.pygpc_extensions',
-#                       sources=pygpc_extensions_src_file_path,
-#                       include_dirs=pygpc_extensions_include_path,
-#                       extra_compile_args=openmp_compile_args,
-#                       extra_link_args=openmp_link_args)]
-
 extensions = [
     Extension(
         "pygpc.pygpc_extensions",
@@ -56,7 +47,7 @@
 
 setup(
     name="pygpc",
-    version="0.3.9",
+    version="0.4.0",
     description="A sensitivity and uncertainty analysis toolbox for Python",
     author="Konstantin Weise",
     author_email="kweise@cbs.mpg.de",