change readme install instructions

.github/workflows/CI.yml

@@ -21,31 +21,32 @@ jobs:
       fail-fast: false
       matrix:
         cfg:
-          - { os: ubuntu-latest, python-version: '3.10', torch-version: 'torch>=2.1' }
-          - { os: windows-latest, python-version: '3.10', torch-version: 'torch>=2.1' }
-          - { os: macos-latest, python-version: '3.10', torch-version: 'torch>=2.1' }
-          - { os: ubuntu-latest, python-version: '3.11', torch-version: 'torch>=2.1' }
-          - { os: windows-latest, python-version: '3.11', torch-version: 'torch>=2.1' }
-          - { os: macos-latest, python-version: '3.11', torch-version: 'torch>=2.1' }
+          - { os: ubuntu-latest, python-version: '3.12', torch-version: 'pytorch>=2.4' }
+          - { os: windows-latest, python-version: '3.12', torch-version: 'pytorch>=2.4' }
+          - { os: macos-latest, python-version: '3.12', torch-version: 'pytorch>=2.4' }
 
     steps:
 
       - uses: actions/checkout@v4
-      - name: Set up Python ${{ matrix.cfg.python-version }}
-        uses: actions/setup-python@v5
+      - name: Setup Miniconda
+        uses: conda-incubator/setup-[email protected]
         with:
           python-version: ${{ matrix.cfg.python-version }}
       - name: Install dependencies
+        shell: bash -el {0}
         run: |
-          python -m pip install --upgrade pip
-          pip install pytest "${{ matrix.cfg.torch-version }}" numpy==1.26.4 pyevtk h5py mmh3
-      - name: Install package
+          conda install "${{ matrix.cfg.torch-version }}" -c pytorch -c nvidia
+          conda install --file requirements.txt -c conda-forge -c pytorch -c nvidia
+      - name: Install lettuce
+        shell: bash -el {0}
         run: |
-          python setup.py install
+          pip install --use-pep517 .
       - name: Unit tests with pytest
+        shell: bash -el {0}
         run: |
-          py.test tests
+          pytest tests
       - name: Integration tests
+        shell: bash -el {0}
         run: |
           lettuce --no-cuda convergence --use-no-cuda_native
           lettuce --no-cuda benchmark --use-no-cuda_native

README.rst

@@ -43,9 +43,7 @@ Resources
 Getting Started
 ---------------
 
-To find some very simple examples of how to use lettuce, please have a look
-at the examples_. These will guide you through lettuce's main features. The
-simplest example is:
+To find some very simple examples of how to use lettuce, please have a look at the examples_. These will guide you through lettuce's main features. The simplest example is:
 
 https://github.com/lettucecfd/lettuce/blob/ef9830b59c6ad50e02fdf0ce24cc47ea520aa354/examples/00_simplest_TGV.py#L6-L21
 
@@ -56,55 +54,51 @@ Please ensure you have Jupyter installed to run the Jupyter notebooks.
 Installation
 ------------
 
-* Install the anaconda or miniconda package manager from www.anaconda.org
-* Create a new conda environment and activate it::
+* Install the anaconda or miniconda package manager from https://www.anaconda.org
 
+* Clone this repository from github and change to it::
+
+    git clone https://github.com/lettucecfd/lettuce
+    cd lettuce
+
+* Update conda, create a new conda environment and activate it::
+
+    conda update conda
     conda create -n lettuce
     conda activate lettuce
 
-* Follow the recommendations at https://pytorch.org/get-started/locally/ to
-install pytorch based on your GPU's CUDA version. You may need to install
-the nvidia toolkit. You may follow the instructions at https://developer
-.nvidia.com/cuda-downloads. You may need to check the compatibility of your
-NVIDIA driver with the desired CUDA version:
-https://docs.nvidia.com/deploy/cuda-compatibility/. To get your CUDA version,
-run::
+* Follow the recommendations at https://pytorch.org/get-started/locally/ to install pytorch based on your GPU's CUDA version. You may need to install the nvidia toolkit. You may follow the instructions at https://developer.nvidia.com/cuda-downloads. You may need to check the compatibility of your NVIDIA driver with the desired CUDA version: https://docs.nvidia.com/deploy/cuda-compatibility/. To get your CUDA version, run::
 
     nvcc --version
 
 * For CUDA 12.1 (if supported by your GPU) use::
 
     conda install pytorch pytorch-cuda=12.1 -c pytorch -c nvidia
 
-* Install the remaining dependencies::
+* Install the remaining dependencies. _This will not include CUDA-support unless you installed `pytorch-cuda`!_::
 
     conda activate lettuce
-    conda install -c pytorch -c conda-forge matplotlib pytest click pyevtk mmh3 h5py scipy pandas numpy
-
-* Clone this repository from github and change to it::
+    conda install --file requirements.txt -c pytorch -c nvidia -c conda-forge
 
-    git clone https://github.com/lettucecfd/lettuce
-    cd lettuce
-
-* If you want to only **USE** lettuce, run the install script::
-
-    python setup.py install
+* **NOTE**: Sometimes, the installation does not properly set the `CUDA_HOME` variable. In this case, you may install `cudatoolkit` and set `CUDA_HOME` to the package directory (it should containa `/bin/nvcc/` subdirectory!).
 
-* If you are a **developer**, do this to update the lettuce package when running a script::
+* If you want to only **use** lettuce, run the installation using PEP517 (from the lettuce base directory!)::
 
-    python setup.py develop
+    pip install --use-pep517 .
 
-* Run the test cases::
+* If you are a **developer**, add the changeable-installation-flag (`-e`)::
 
-    python setup.py test
+    pip install --use-pep517 -e .
 
 * Check out the convergence order, running on CPU::
 
     lettuce --no-cuda convergence
 
-* For running a CUDA-driven LBM simulation on one GPU omit the `--no-cuda`.
-If CUDA is not found, make sure that cuda drivers are installed and
-compatible with the installed cudatoolkit (see conda install command above).
+* Run the test cases::
+
+    pytest tests
+
+* For running a CUDA-driven LBM simulation on one GPU omit the `--no-cuda`. If CUDA is not found, make sure that cuda drivers are installed and compatible with the installed cudatoolkit (see conda install command above).
 
 * Check out the performance, running on GPU::
 

requirements.txt

@@ -1,10 +1,11 @@
-Click>=6.0
-pytorch>=2.4
-numpy==1.26.4
-matplotlib==3.9.0
-pyevtk
-pytest
-h5py>=3.2.1
-mmh3
-packaging~=24.1
-setuptools~=71.0.1
+click==8.1.7
+h5py==3.11.0
+matplotlib==3.9.2
+mmh3==4.1.0
+numpy==2.1.0
+packaging==24.1
+pyevtk==1.6.0
+pytest==8.3.2
+python==3.12
+pytorch==2.4
+setuptools==72.1.0

requirements_dev.txt

@@ -1,12 +1,11 @@
-pip==23.3
-wheel==0.38.1
-watchdog==4.0.0
+coverage==4.5.1
 flake8==3.5.0
+pip==23.3
+pyevtk==1.6.0
+pytest==8.3.2
+pytest-runner==4.2
+sphinx==7.2.6
 tox==3.14.0
-coverage==4.5.1
-Sphinx==7.2.6
 twine==1.12.1
-
-pytest==4.4.1
-pytest-runner==4.2
-pyevtk==1.1.1
+watchdog==4.0.0
+wheel==0.38.1

setup.py

@@ -9,7 +9,8 @@
 with open('README.rst') as readme_file:
     readme = readme_file.read()
 
-requirements = ['Click>=6.0', "torch>=2.1", "numpy==1.26.4", "matplotlib==3.9.0", "pyevtk", "h5py>=3.2.1", "mmh3"]
+requirements = ["click", "h5py", "matplotlib", "mmh3", "numpy", "packaging",
+                "pyevtk", "pytest", "torch"]
 
 setup_requirements = ['pytest-runner', 'pytest']
 
@@ -21,8 +22,7 @@
         'Intended Audience :: Developers',
         'License :: OSI Approved :: MIT License',
         'Natural Language :: English',
-        'Programming Language :: Python :: 3.6',
-        'Programming Language :: Python :: 3.7',
+        'Programming Language :: Python :: 3.12',
     ],
     description="Lattice Boltzmann Python GPU",
     entry_points={
@@ -33,7 +33,10 @@
     install_requires=requirements,
     license="MIT license",
     long_description=readme,
-    package_data={'lettuce.native_generator': ['lettuce/native_generator/template/setup.py']},
+    package_data={
+        'lettuce.native_generator':
+            ['lettuce/native_generator/template/setup.py']
+    },
     include_package_data=True,
     keywords='lettuce',
     name='lettuce',
@@ -55,7 +58,6 @@
         'lettuce.cuda_native.ext._force',
         'lettuce.util']),
     setup_requires=setup_requirements,
-    test_suite='tests',
     url='https://github.com/lettucecfd/lettuce',
     version=versioneer.get_version(),
     cmdclass=versioneer.get_cmdclass(),

tests/boundary/test_equilibrium_bc_pu.py

@@ -21,7 +21,7 @@ def fix_stencil_x_moment_dims(request):
     return request.param
 
 
-class TestEquilibriumBoundary(EquilibriumBoundaryPU):
+class DummyEquilibriumBoundary(EquilibriumBoundaryPU):
 
     # def make_no_collision_mask(self, shape: List[int], context: 'Context'
     #                            ) -> Optional[torch.Tensor]:
@@ -53,9 +53,9 @@ class DummyEQBC(TestFlow):
         def boundaries(self) -> List['Boundary']:
             m = self.context.zero_tensor(self.resolution, dtype=bool)
             m[..., :1] = True
-            return [TestEquilibriumBoundary(context=self.context,
-                                            mask=m, velocity=velocity,
-                                            pressure=pressure)]
+            return [DummyEquilibriumBoundary(context=self.context,
+                                             mask=m, velocity=velocity,
+                                             pressure=pressure)]
 
     flow_1 = DummyEQBC(context, resolution=fix_stencil.d * [16],
                        reynolds_number=1, mach_number=0.1, stencil=fix_stencil)
@@ -95,7 +95,7 @@ def boundaries(self):
             p = 0  # self.context.zero_tensor([1, 1, 1])
             m = self.context.zero_tensor(self.resolution, dtype=bool)
             m[..., :1] = True
-            return [TestEquilibriumBoundary(
+            return [DummyEquilibriumBoundary(
                 self.context, m, u, p)]
 
     flow_1 = DummyEQBC(context, resolution=16, reynolds_number=1,
@@ -140,12 +140,12 @@ class DummyEQBC(TestFlow):
         def boundaries(self) -> List[Boundary]:
             m = self.context.zero_tensor(self.resolution, dtype=bool)
             m[..., :1] = True
-            return [TestEquilibriumBoundary(context=self.context,
-                                            mask=m,
-                                            velocity=self.context.
-                                            convert_to_tensor(velocity),
-                                            pressure=self.context.
-                                            convert_to_tensor(pressure))]
+            return [DummyEquilibriumBoundary(context=self.context,
+                                             mask=m,
+                                             velocity=self.context.
+                                             convert_to_tensor(velocity),
+                                             pressure=self.context.
+                                             convert_to_tensor(pressure))]
 
     flow_native = DummyEQBC(context_native, resolution=16, reynolds_number=1,
                             mach_number=0.1, stencil=stencil)