## 4.1.0 (2026-05-29) ### Bugfixes - Simplify CLI for copyright hook and fix bugs in pre-commit integration - Ensure correct data types for mpyidentify and enhance debug log - Make sure default fallback version of versioningit passed minimum version check - Pass labels to dependabot as list rather than string - Make default fallback version PEP 440 konform ### Features - Create test images for visualization objects - Create a color module and add Helmholtz corporate colors - Add utility to create GitLab-compatible JUnit test reports from finished workflows - Improve robustness of ifndef hook to detect real header files and ignore code includes - Replace watchdog in mpywatch with scheduler to be more robust - Enable validation of case-level `case.yml` files via `fastjsonschema` - Enable file list filtering for mpyrpdiff and improve CLI interface - Remove depreciated copyrightyear and copyrightheader hooks ### Documentation - Add information on errors raised by jinja template evaluation - Remove duplicated line for documentation of mpyrpdiff - Improve documentation for pre-commit hooks ### Miscellaneous - Enable Git LFS for the repository and store png there - Skip creation of README during rendering of workflow if it exists - Temporarily deactivate validation of keyword section in `case.yml` files to... - Bump snakemake from 9.20.0 to 9.21.0 - Bump snakemake from 9.5.0 to 9.20.0 - Extend list of labels for dependabot ### feature - Store source file path for DictContainer ## 4.0.0 (2026-04-22) ### Features - Extend mpyvisualize slice functionality ### Documentation - Adjust documents to install package from pypi.org in future ### Testing and CI/CD - Add integration test for Snakemake workflow requiring an Apptainer and Slurm environment ## 3.1.3 (2026-04-16) ### Documentation - Shorten README.md of workflow copier template - Eliminate reference to copier for mpycopy and workflow initialization - Remove some left-overs for reuse configuration ### Miscellaneous - Use identify to check if file is binary when updating shell script headers in a workflow - Simplify template case detection during initialization of cases in the workflow ## 3.1.2 (2026-04-07) ### Bugfixes - Fix Snakemake workflow report creation for non-templated case setups ## 3.1.1 (2026-04-07) ### Bugfixes - Fix detection of templated cases in workflow and exclude binary files in case... ## 3.1.0 (2026-04-02) ### Bugfixes - Add a fallback version for versioningit - Correct slice tool documentation ### Features - Change default Slurm options in workflow copier template to improve... - Simplify copier_template/workflow/scripts/init.py by calling a new... - Enable slice tool to process multiple fields based on file name pattern - Bump pygments from 2.19.2 to 2.20.0 ## 3.0.6 (2026-03-31) ### Documentation - Adjust links and metadata for readthedocs and pypi - Fix installation instruction in readthedocs configuration - Add readthedocs configuration ## 3.0.5 (2026-03-25) ### Bugfixes - Several small corrections to workflow copier template and mpyworkflow ## 3.0.4 (2026-03-24) ### Bugfixes - Fix bug with mandatory logfile for mpypost for ci pipelines ## 3.0.3 (2026-03-23) ### Documentation - Fix some links and metadata based on test publishing in test pypi ## 3.0.2 (2026-03-23) ### Bugfixes - Fix epilog display for commands and sub-commands ### Documentation - Fix several documentation issues obtained from test publishing in test pypi ## 3.0.1 (2026-03-20) ### Bugfixes - Read version string either from command line or from metadata ### Features - Replacing setuptools build backend by more flexible hatchling - Fix remote launch, replace jupyter option by config, replace runcmd by cmd and... - Convert mpycopy from argparse to Click and tidy up left-overs ### Documentation - Fix broken category headline - Align naming of OpenFOAM Foundation software - Shift metadata from CITATION.cff to pyproject.toml and revise README ### Testing and CI/CD - Reset broken infrastucture branch to main - Use versioningit to manage version number dynamically based on git tags ## 2.12.0 (2026-03-04) ### Bugfixes - Modify plot style of mpywatch to show mean and deviation - Fix config file function for mpydocker and allow YAML and JSON format - Fix pyproject.toml for mpywatch command ### Features - New utility for creating, updating and managing Snakemake workflows for simulation batch processing - Convert mpypublish, mpyshrun and mpyrpcmp from argparse to Click CLI interface - Convert mpyhooks and mpyrpdiff from argparse to Click CLI interface ## 2.11.0 (2026-02-23) ### Features - New tool mpyvisualize to create slices for a field from a VTK file - Convert mpypost from argparse to Click CLI interface - Convert mpytest from argparse to Click CLI interface ### Documentation - Adjust include for cli information on landing page ### Testing and CI/CD - Move test for mpypost into cli test module - Correct changelog categories in merge request template - Fix copyright year for ruff linter ## 2.10.1 (2026-02-16) ### Bugfixes - mpytest: Fix argument types for CLI - Use get_current_context instead of context decorator in mpyfuzzy - Add mpywatch to toctree for listing in navbar - Fix categories in changelog ## 2.10.0 (2026-02-09) ### Bugfixes - Increase loglevel for mpydocker integration tests - Increase shared memory for docker images for inter-process communication ### Features - Allow loading of incomplete data files, e.g., produced by volFieldValues functionObject - Add function for retrieving project urls from project metadata - Change API for mpyfuzzy utility from argparse to click ### Documentation - mpydocker: Improve documentation w.r.t. mounting volumes - Improve information on how to run integration tests with pytest and tox ## 2.9.0 (2026-01-23) ### Bugfixes - Allow removing sandboxed apptainer images without root privileges and improve build error message. - Fix `--quiet` for `mpycopy` and stop using `Worker` which is marked as deprecated by copier ### Features - New utility to monitor progress and real-time plotting for simulations ### Documentation - Fix documentation on customize apptainer container ## 2.8.0 (2026-01-21) ### Bugfixes - Fix wrong argument passed to keywords hook - Fix package version determination for Click ### Features - Add new zigzag detection post-processing functionality ### Documentation - Add documentation for zigzag (oscillation) calculation with mpypost - Add a hint how to determine the name of a running container for mpydocker ## 2.7.0 (2026-01-15) ### Features - Add apptainer runtime, integration tests, and Click CLI interface for mpydocker ## 2.6.2 (2026-01-13) ### Bugfixes - Dirty fix of order of positional arguments for depreciated 'copyright-header' hook. ## 2.6.1 (2026-01-13) ### Bugfixes - Fix wrong argument name in copyright-header hook interface ## 2.6.0 (2026-01-09) ### Bugfixes - Catch exception for build error of custom image - Allow launching of existing base image in case of --no-build - Remove wrong show_default for click.argument - Add missing help text to input option for mpyidentify command ### Features - Implement decorator for logging and input/output and adopt mpyidentify to click - Update numpy requirement from <2.4.0,>=1.21.5 to >=1.21.5,<2.5.0 ### Testing and CI/CD - Add new integration test environments for tox ## 2.5.0 (2025-12-18) ### Features - Add possibility to specify a license model for simulation software - Add a new lexer for OpenFOAM Foundation software dictionaries - Bump matplotlib from 3.10.7 to 3.10.8 ### Testing and CI/CD - Simplify merge request default template ## 2.4.0 (2025-12-08) ### Documentation - Enhance documentation for each script and use readthedocs template ## 2.3.0 (2025-12-02) ### Bugfixes - Make sure that extra_args for mpydocker are splitted correctly when added to docker command ### Features - Create a class structure for mpydocker and allow running environment checks on a remote machine ## 2.2.0 (2025-11-27) ### Bugfixes - Fixing function annotations and pass all logging arguments to configure function. ### Features - Use run_serial_on_files function for all hooks - Add new option --types and --print to identify files in a repository and use with xargs - Add new PostParser for subparsers in cli/post.py module - New hook to automatically generate copyright headers for source code and configuration files - New function to filter file list by tags (required mainly for hooks) - Add a new tool to generate a diff report between two repositories based on git diff. ## 2.1.3 (2025-11-04) ### Bugfixes - Remove dublicated license file from repository root (see Licenses folder instead) - Remove left-over print statement - Improve error message for YAML and JSON reading in multiphasepy.io ### Features - Restructure hooks and add two functions to sort lists and dictionaries ### Documentation - mpydocker: Fix warning about deprecated `--site` option - Use SPDX conformal license headers in source files ### Testing and CI/CD - Enable sorting of imports using ruff in the pre-commit configuration. ## 2.1.2 (2025-10-17) ### Bugfixes - Fix issue with new --image-suffix argument instead of --suffix - Remove jsonargparse dependency ## 2.1.1 (2025-10-17) ### Bugfixes - Adjust setuptools to detect sub-modules ## 2.1.0 (2025-10-17) ### Features - Add a new auxiliary module for general purpose functions - Remove jsonargparse for a more consistent command line interface - Implement a detection of most of the files in OpenFOAM Foundation software based on identify - Bump matplotlib from 3.10.6 to 3.10.7 - Separate scripts into individual files and put them in cli directory. - Bump pyyaml from 6.0.2 to 6.0.3 ## 2.0.0 (2025-09-19) ### Features - Remove FoamExtCase class in favor of extending the BaseCase class - Bump matplotlib from 3.10.3 to 3.10.6 ## 1.10.0 (2025-08-12) ### Bugfixes - Strip points from log file name in case no prefix is given ### Miscellaneous - Minimum version of Snakemake set to 9.5.0 ## 1.9.0 (2025-07-08) ### Bugfixes - Define pre-commit as development dependency ### Features - Added function for checking whether the installed version of multiphasepy... - Use identify to detect file types and extend identify to detect OpenFOAM Foundation files - Generalize logging options and use logging module for mpyshrun and mpytest - Create a package specific logger and add logfile option ## 1.8.1 (2025-07-01) ### Bugfixes - Fix wrong detection of positional arguments for mpyshrun - Allow more flexibility for ifndef and define statements according to OpenFOAM release ### Features - Introduce shorthand command line arguments for mpyshrun to match runApplication - Update numpy requirement from <2.3.0,>=1.21.5 to >=1.21.5,<2.4.0 - Bump pyyaml from 6.0.1 to 6.0.2 ## 1.8.0 (2025-05-27) ### Features - mpycollect: Add `--test` option for generating a workflow.yml that only... ## 1.7.3 (2025-05-26) ### Bugfixes - Make sure that goodness from fuzzy logic can reach 1 for perfect agreement ## 1.7.2 (2025-05-22) ### Documentation - Add hints on how-to install additional packages for jupyter notebooks in the container ### Features - Eliminate need for Allclean script for a simulation case to be considered valid - Create a own module for exeptions for better structure ## 1.7.1 (2025-05-16) ### Bugfixes - Add missing paramiko package for docker-py and improve error management - Fix a wrong argument type for progress bar in mpydocker - Add new function to read literals (str with whitespaces) from OpenFOAM dictionaries ## 1.7.0 (2025-05-12) ### Features - Add new utility mpycollect to obtain all cases from a directory for Snakemake workflow - Bump matplotlib from 3.10.1 to 3.10.3 ### Miscellaneous - Reduce number of categories for changelog generation ### Testing and CI/CD - Remove tests folder from coverage report ## 1.6.4 (2025-04-22) ### Bugfixes - Downgrade to last Snakemake version that worked w.r.t. IncompleteFilesException ## 1.6.3 (2025-04-22) ### Bugfixes - Make ORCID for authors in CITATION.cff optional - Define a default logger named 'multiphasepy' to avoid conflicts - Remove obsolete print statement from pull function ### Testing and CI/CD - Disable spellchecking for CHANGELOG.md ## 1.6.2 (2025-04-17) ### Bugfixes - Fix the missing message for ImageNotFound error in mpydocker ## 1.6.1 (2025-04-17) ### Bugfixes - Bumping jsonargparse due to a bug ## 1.6.0 (2025-04-17) ### Bugfixes - Remove prefix from commit message for dependabot - Entry for ignored versions for dependabot should be lists ### Documentation - Fix order of authors to alphabetical ### Features - New case parameter container and faster keyword check - Update numpy requirement from <2.1.0,>=1.21.5 to >=1.21.5,<2.3.0 - Bump pygments from 2.18.0 to 2.19.1 - Bump matplotlib from 3.9.1 to 3.10.1 - Update docker python sdk dependency to 7.1.0 - Prefer to use pathlib and Path objects instead of os.path - Create a generic BaseCase class and add specific case classes for StarCCM+ and Fluent ## 1.5.0 (2025-03-19) ### Bugfixes - Optional repository name for mpyrpcmp as additional command line argument ### Documentation - Improve description of mpycopy script ### Features - Post: add function for standard deviation, min and max - Add FFT function for Fourier transforming of signals ## 1.4.8 (2025-02-13) ### Bugfixes - Only fix copyright date if hook fails ## 1.4.7 (2025-02-12) ### Bugfixes - Allow for newer Snakemake versions again after upstream fix... ## 1.4.6 (2025-02-05) ### Features - Add auto-fixing for copyright year issues to hook ### Testing and CI/CD - Add script for testing CFD code functionality ## 1.4.5 (2025-01-15) ### Bugfixes - Catch exception that case template features a caseParamaterTable.ecsv but not case.yml(.jinja) ### Features - Simplify code for reading metadata for a extended OpenFOAM case ## 1.4.4 (2025-01-10) ### Features - Refactored handling of template cases ## 1.4.3 (2024-12-10) ### Bugfixes - Fix formating of debug message for uid and gid - Remove backslash from repository for docker pull in case no namespace is given - Skip list comprehension for mounted volumes in case no volumes are specified - mpydocker: Password free sudo access for user in docker image and pass... - mpydocker: If host uid and gid are lower than 1000 use default user in ubuntu... ### Deployment - Remove cloning of scikit-fuzzy library, and replace by pypi package ## 1.4.2 (2024-11-29) ### Bugfixes - Allow optional keys for referencePublication in codemeta.json for Rodare publishing ## 1.4.1 (2024-11-05) ### Bugfixes - Enforce utf-8 encoding for reading data files into data container ### Testing and CI/CD - Drop slow megalinter for static code analysis and replace by fast pre-commit hooks ## 1.4.0 (2024-10-23) ### Testing and CI/CD - Use tox framework to execute unit tests for various python versions ### Documentation - Correct installation instructions ### Features - Replace internal data handling with data containers from Astropy package ## 1.3.1 (2024-10-10) ### Bugfixes - Fix mpycopy script arguments ## 1.3.0 (2024-10-09) ### Features - Added new FoamTemplateCase class ### Bugfix - Clarify error message on invalid copyright headers ## 1.2.0 (2024-10-02) ### Testing and CI/CD - Add pre-commit hook to sort cspell dictionary file ### Features - Introduce git hooks and pre-commit configuration for code style checks ## 1.1.3 (2024-09-26) ### Documentation - Suggest installation of multiphasepy in a Python virtual environment ## 1.1.2 (2024-09-24) ### Bugfixes - Restrict configuration for logging to this package and avoid configuring root logger ### Documentation - Remove dangerous hint for deadsnake repository for older python versions ### Deployment - Remove some minor left-overs for Conda packaging ## 1.1.1 (2024-09-17) ### Bugfixes - Raise required python version for Snakemake and mpydocker ### Deployment - Add an argument to mpypublish to specify package version number directly,... ## 1.1.0 (2024-09-17) ### Bugfixes - Fix regular expression for changelog generation ### Testing and CI/CD - Fix remaining wrong path to ci include files in infrastructure project - Adjust path for ci includes due to renaming in infrastructure project ### Miscellaneous - Update Snakemake version to >= 8.19.3 ## 1.0.1 (2024-08-16) ### Testing and CI/CD - Simplify tag pattern for release management - Check for too large files and tailing whitespaces in pre-commit hook - Ignore rules directory for static code checks ### Features - Add script to update a code publication in Rodare ### Deployment - Remove all conda related information and implementation due to unclear license - Automated release pipeline with deployment for Rodare ## 1.0.0 (2024-08-15) ### Testing and CI/CD - Simplify tag pattern for release management - Check for too large files and tailing whitespaces in pre-commit hook - Ignore rules directory for static code checks ### Features - Add script to update a code publication in Rodare ## 0.12.0 (2024-08-02) ### Bugfixes - Move validation job for citation.cff to infrastructure ### Documentation - Enhance documentation for mpyshrun to avoid ambiguous command line arguments ### Features - Add function to calculate derivatives for data files to mpypost - Add configuration for git hooks to be enabled with pre-commit - Function to read and write dictionaries from OpenFOAM Foundation software - Add CITATION.cff for releases in Rodare ## 0.11.1 (2024-07-24) ### Bugfixes - Add missing categories to changelog configuration ### Miscellaneous - Use --foo and -f style for arguments of all scripts ## 0.11.0 (2024-07-19) ### Testing and CI/CD - Add installation test for ubuntu 22.04 and 24.04 ### Features - New utility for post-processing of simulation data ### Deployment - Adjust dockerfiles for installation test to install for user instead of global ## 0.10.3 (2024-07-16) ### Bugfixes - The default suffix argument value has to be a empty list of strings ## 0.10.2 (2024-07-16) ### Bugfixes - Calculate a defined value for Pearson coefficient in case of flat profile ## 0.10.1 (2024-07-16) ### Bugfixes - Fix wrong argument type for suffix command line option ### Documentation - Fix spelling mistakes and exclude changelog from static code checks - Add installation instructions for Ubuntu 24.04 and older Ubuntu systems ### Miscellaneous - Re-factoring handling of arguments for scripts ## 0.10.0 (2024-07-13) ### Documentation - Fix typo in script name ### Miscellaneous - Add conda build dir to ignore list ### Deployment - Update dependencies for conda - Install custom branch for scikit-fuzzy to make it compatible with python 3.12 - Generate changelog and release notes ### Testing and CI/CD - Use echo instead of ls to be more general for testing mpyshrun ### Features - Implement reader for probe files produced by OpenFOAM Foundation software - New tool to run shell commands on an OpenFOAM case named mpyshrun