diff --git a/.github/workflows/build_and_test.yaml b/.github/workflows/build_and_test.yaml index f4be766..a1042b2 100644 --- a/.github/workflows/build_and_test.yaml +++ b/.github/workflows/build_and_test.yaml @@ -33,7 +33,7 @@ jobs: uses: actions/checkout@v4 - name: Set up pixi - uses: prefix-dev/setup-pixi@v0.8.8 + uses: prefix-dev/setup-pixi@v0.8.10 - name: Generate build directory run: mkdir -p ${{ env.FANS_BUILD_DIR }} diff --git a/.github/workflows/build_and_test_mac.yaml b/.github/workflows/build_and_test_mac.yaml index b917d18..c6d9107 100644 --- a/.github/workflows/build_and_test_mac.yaml +++ b/.github/workflows/build_and_test_mac.yaml @@ -33,7 +33,7 @@ jobs: brew install fftw eigen - name: Set up pixi - uses: prefix-dev/setup-pixi@v0.8.8 + uses: prefix-dev/setup-pixi@v0.8.10 - name: Generate build directory run: mkdir -p ${{ env.FANS_BUILD_DIR }} diff --git a/CHANGELOG.md b/CHANGELOG.md index 5f62666..9e00faa 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,11 @@ # FANS Changelog +## v0.4.2 + +- Reduce dependencies of dashboard for cf-package https://github.com/DataAnalyticsEngineering/FANS/pull/71 +- Add pixi task `h52xdmf` to generate XDMF from H5 files directly as `pixi run h52xdmf {h5filepath}` +- Add logo of FANS to the README https://github.com/DataAnalyticsEngineering/FANS/pull/70 + ## v0.4.1 - remove std::sqrt from constexpr - failed on Clang https://github.com/DataAnalyticsEngineering/FANS/pull/64 diff --git a/CMakeLists.txt b/CMakeLists.txt index 4294bfd..45a23c3 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -5,7 +5,7 @@ cmake_minimum_required(VERSION 3.21) # ############################################################################## project(FANS - VERSION 0.4.1 + VERSION 0.4.2 LANGUAGES C CXX ) diff --git a/FANS_Dashboard/pyproject.toml b/FANS_Dashboard/pyproject.toml index c9f5287..e1ef4c8 100644 --- a/FANS_Dashboard/pyproject.toml +++ b/FANS_Dashboard/pyproject.toml @@ -4,19 +4,15 @@ build-backend = "hatchling.build" [project] name = "fans-dashboard" -version = "0.4.1" -requires-python = ">=3.13" +version = "0.4.2" +requires-python = ">=3.9" dependencies = [ - "numpy>=2.2.5,<3", - "h5py>=3.13.0,<4", - "plotly>=6.0.1,<7", - "lxml>=5.4.0,<6", - "nbformat>=5.10.4,<6", - "matplotlib>=3.10.1,<4", - "scipy>=1.15.2,<2", - "meshio>=5.3.5,<6", - "ipykernel>=6.29.5,<7", - "nbclient>=0.10.2,<0.11", + "numpy", + "h5py", + "plotly", + "lxml", + "scipy", + "meshio", ] [tool.hatch.build.targets.wheel] diff --git a/README.md b/README.md index e900a83..94884a3 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ Fourier-Accelerated Nodal Solver (FANS) is an FFT-based homogenization solver for microscale multiphysics problems. FANS is written in C++, built using CMake, and it has MPI parallelization.

- Example Image + Example Image

## Table of contents @@ -17,7 +17,7 @@ Fourier-Accelerated Nodal Solver (FANS) is an FFT-based homogenization solver fo FANS has the following dependencies: -- A C++ compiler (e.g. GCC, Clang, etc.) +- A C++ compiler (e.g., GCC, Clang, etc.) - CMake (version 3.21 or higher) - Git (for cloning this repo) - MPI (mpicc and mpic++) @@ -27,7 +27,7 @@ FANS has the following dependencies: ### Installing dependencies -- On Debian based systems, we recommend installing the dependencies using using `apt`, +- On Debian-based systems, we recommend installing the dependencies using `apt`, ```bash apt-get install \ @@ -51,10 +51,10 @@ FANS has the following dependencies: ### Setting up a Python environment -Also, we recommend to set up a Python virtual environment for the [`FANS_Dashboard.ipynb`](FANS_Dashboard/FANS_Dashboard.ipynb) via [pixi](https://pixi.sh/) with all required Python dependencies in an isolated environment: +Also, we recommend setting up a Python virtual environment for the [`FANS_Dashboard.ipynb`](FANS_Dashboard/FANS_Dashboard.ipynb) via [pixi](https://pixi.sh/) with all required Python dependencies in an isolated environment: ```bash -# Install pixi if not done already +# Install Pixi if not done already, curl -fsSL https://pixi.sh/install.sh | sh # Create and activate the environment @@ -79,7 +79,7 @@ Spack is a package manager designed for high-performance computing environments. spack install fftw +mpi ``` - Additionally, optimized FFTW implementations can be used depending on your system's architecture, for example `amdfftw` (For AMD systems) or `cray-fftw` (For Cray systems) or `fujitsu-fftw` (For Fujitsu systems). + Additionally, optimized FFTW implementations can be used depending on your system's architecture, for example `amdfftw` (For AMD systems) or `cray-fftw` (For Cray systems), or `fujitsu-fftw` (For Fujitsu systems). 3. **Load Dependencies** Once dependencies are installed, load them before building: @@ -142,7 +142,7 @@ Install FANS (system-wide) using the following options: [![Anaconda-Server Badge](https://anaconda.org/conda-forge/fans/badges/platforms.svg)](https://anaconda.org/conda-forge/fans) [![Anaconda-Server Badge](https://anaconda.org/conda-forge/fans/badges/downloads.svg)](https://anaconda.org/conda-forge/fans) -FANS is also available as a conda-package on [conda-forge/fans](https://anaconda.org/conda-forge/fans). No dependencies have to be manually installed for it to work. +FANS is also available as a conda package on [conda-forge/fans](https://anaconda.org/conda-forge/fans). No dependencies have to be manually installed for it to work. It can be installed via ```bash @@ -153,7 +153,7 @@ exposing the executable `FANS`. ## Input File Format -FANS requires a JSON input file specifying the problem parameters. Example input files can be found in the [`test/input_files`](test/input_files) directory. It is recommended to use these files as a reference to create your own input file. +FANS requires a JSON input file specifying the problem parameters. Example input files can be found in the [`test/input_files`](test/input_files) directory. It is recommended to use these files as a reference to create your input file. ### Microstructure Definition @@ -167,7 +167,7 @@ FANS requires a JSON input file specifying the problem parameters. Example input - `filepath`: This specifies the path to the HDF5 file that contains the microstructure data. - `datasetname`: This is the path within the HDF5 file to the specific dataset that represents the microstructure. -- `L`: Microstructure length defines the physical dimensions of the microstructure in the x, y, and z directions. +- `L`: Microstructure length defines the physical dimensions of the microstructure in the $x$, $y$, and $z$ directions. ### Problem Type and Material Model @@ -189,7 +189,7 @@ FANS requires a JSON input file specifying the problem parameters. Example input - `LinearElasticIsotropic` for linear isotropic elastic material model - `LinearElasticTriclinic` for linear triclinic elastic material model - `PseudoPlasticLinearHardening` / `PseudoPlasticNonLinearHardening` for plasticity mimicking model with linear/nonlinear hardening - - `J2ViscoPlastic_LinearIsotropicHardening` / `J2ViscoPlastic_NonLinearIsotropicHardening` for rate independent / dependent J2 plasticity model with kinematic and linear/nonlinear isotropic hardening. + - `J2ViscoPlastic_LinearIsotropicHardening` / `J2ViscoPlastic_NonLinearIsotropicHardening` for rate-independent / dependent J2 plasticity model with kinematic and linear/nonlinear isotropic hardening. - `material_properties`: This provides the necessary material parameters for the chosen material model. For thermal problems, you might specify `conductivity`, while mechanical problems might require `bulk_modulus`, `shear_modulus`, and more properties for advanced material models. These properties can be defined as arrays to represent multiple phases within the microstructure. @@ -206,7 +206,7 @@ FANS requires a JSON input file specifying the problem parameters. Example input ``` - `method`: This indicates the numerical method to be used for solving the system of equations. `cg` stands for the Conjugate Gradient method, and `fp` stands for the Fixed Point method. -- `error_parameters`: This section defines the error parameters for the solver. Error control is applied on the finite element nodal residual of the problem. +- `error_parameters`: This section defines the error parameters for the solver. Error control is applied to the finite element nodal residual of the problem. - `measure`: Specifies the norm used to measure the error. Options include `Linfinity`, `L1`, or `L2`. - `type`: Defines the type of error measurement. Options are `absolute` or `relative`. - `tolerance`: Sets the tolerance level for the solver, defining the convergence criterion based on the chosen error measure. The solver iterates until the solution meets this tolerance. @@ -235,7 +235,7 @@ FANS requires a JSON input file specifying the problem parameters. Example input - For `thermal` problems, the array typically has 3 components, representing the temperature gradients in the $x$, $y$, and $z$ directions. - For `mechanical` problems, the array must have 6 components, corresponding to the components of the strain tensor in Mandel notation (e.g., $[\varepsilon_{11}, \varepsilon_{22}, \varepsilon_{33}, \sqrt{2}\varepsilon_{12}, \sqrt{2}\varepsilon_{13}, \sqrt{2}\varepsilon_{23}]$). -In the case of path/time-dependent loading as shown, for example as in plasticity problems, the `macroscale_loading` array can include multiple steps with corresponding loading conditions. +In the case of path/time-dependent loading, as shown, for example, in plasticity problems, the `macroscale_loading` array can include multiple steps with corresponding loading conditions. FANS also supports mixed boundary conditions, where some components can be strain-controlled while others are stress-controlled: @@ -257,26 +257,26 @@ FANS also supports mixed boundary conditions, where some components can be strai "microstructure", "displacement", "displacement_fluctuation", "stress", "strain"] ``` -- `results`: This array lists the quantities that should be stored into the results HDF5 file during the simulation. Each string in the array corresponds to a specific result: +- `results`: This array lists the quantities that should be stored in the results HDF5 file during the simulation. Each string in the array corresponds to a specific result: - `stress_average` and `strain_average`: Volume averaged- homogenized stress and strain over the entire microstructure. - - `absolute_error`: The L-infinity error of finite element nodal residual at each iteration. + - `absolute_error`: The L-infinity error of the finite element nodal residual at each iteration. - `phase_stress_average` and `phase_strain_average`: Volume averaged- homogenized stress and strain for each phase within the microstructure. - `microstructure`: The original microstructure data. - `displacement`: The displacement field (for mechanical problems) and temperature field (for thermal problems) at each voxel in the microstructure. - `displacement_fluctuation`: The periodic displacement fluctuation field (for mechanical problems) and periodic temperature fluctuation field (for thermal problems at each voxel in the microstructure). - `stress` and `strain`: The stress and strain fields at each voxel in the microstructure. -- Additional material model specific results can be included depending on the problem type and material model. +- Additional material model-specific results can be included depending on the problem type and material model. ## Acknowledgements -Funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy - EXC 2075 – 390740016. Contributions by Felix Fritzen are funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) within the Heisenberg program - DFG-FR2702/8 - 406068690; DFG-FR2702/10 - 517847245 and through NFDI-MatWerk - NFDI 38/1 - 460247524. We acknowledge the support by the Stuttgart Center for Simulation Science ([SimTech](https://www.simtech.uni-stuttgart.de/)). +Funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy - EXC 2075 – 390740016. Contributions by Felix Fritzen are funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) within the Heisenberg program - DFG-FR2702/8 - 406068690; DFG-FR2702/10 - 517847245 and through NFDI-MatWerk - NFDI 38/1 - 460247524. We acknowledge the support of the Stuttgart Center for Simulation Science ([SimTech](https://www.simtech.uni-stuttgart.de/)). ## Contributors - [Sanath Keshav](https://github.com/sanathkeshav) -- [Florian Rieg](about:blank) +- [Florian Rieg](https://github.com/scylent) - [Ishaan Desai](https://github.com/IshaanDesai) - [Moritz Sigg](https://github.com/siggmo) - [Claudius Haag](https://github.com/claudiushaag) diff --git a/docs/images/FANS_example.png b/docs/images/FANS_example.png deleted file mode 100644 index 3e49c99..0000000 Binary files a/docs/images/FANS_example.png and /dev/null differ diff --git a/docs/images/FANS_logo.png b/docs/images/FANS_logo.png new file mode 100644 index 0000000..f01b935 Binary files /dev/null and b/docs/images/FANS_logo.png differ diff --git a/pixi.lock b/pixi.lock index 822be9d..bf7ba4b 100644 --- a/pixi.lock +++ b/pixi.lock @@ -9,449 +9,418 @@ environments: linux-64: - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2 - 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