diff --git a/README.md b/README.md index b33ba5ea..35a2df73 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ [![](https://img.shields.io/conda/vn/bioconda/biobb_analysis?label=Conda)](https://anaconda.org/bioconda/biobb_analysis) [![](https://img.shields.io/conda/dn/bioconda/biobb_analysis?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_analysis) [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_analysis?tab=tags) -[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0) +[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0) [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_analysis) [![](https://img.shields.io/pypi/pyversions/biobb-analysis.svg?label=Python%20Versions)](https://pypi.org/project/biobb-analysis/) @@ -34,7 +34,7 @@ The latest documentation of this package can be found in our readthedocs site: [latest API documentation](http://biobb_analysis.readthedocs.io/en/latest/). ### Version -v4.0.1 2023.1 +v4.0.2 2023.2 ### Installation Using PIP: @@ -44,7 +44,7 @@ Using PIP: * Installation: - pip install "biobb_analysis>=4.0.1" + pip install "biobb_analysis>=4.0.2" * Usage: [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) @@ -54,7 +54,7 @@ Using ANACONDA: * Installation: - conda install -c bioconda "biobb_analysis>=4.0.1" + conda install -c bioconda "biobb_analysis>=4.0.2" * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-analysis.readthedocs.io/en/latest/command_line.html) @@ -64,13 +64,13 @@ Using DOCKER: * Installation: - docker pull quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0 + docker pull quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0 * Usage: - docker run quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0 + docker run quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0 Using SINGULARITY: @@ -80,7 +80,7 @@ Using SINGULARITY: * Installation: - singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0 + singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0 * Usage: diff --git a/biobb_analysis/__init__.py b/biobb_analysis/__init__.py index ecb6150e..7d1cedea 100644 --- a/biobb_analysis/__init__.py +++ b/biobb_analysis/__init__.py @@ -1,3 +1,3 @@ name = "biobb_analysis" __all__ = ["ambertools", "gromacs"] -__version__ = "4.0.1" +__version__ = "4.0.2" diff --git a/biobb_analysis/docs/source/change_log.md b/biobb_analysis/docs/source/change_log.md index d4f3fb80..f71ee7d5 100644 --- a/biobb_analysis/docs/source/change_log.md +++ b/biobb_analysis/docs/source/change_log.md @@ -1,5 +1,19 @@ # Biobb Analysis changelog +## What's new in version [4.0.2](https://github.com/bioexcel/biobb_analysis/releases/tag/v4.0.2)? +In version 4.0.2 the module gmx_trjconv_str_ens has been fixed. + +### New features + +* Fixes in gmx_trjconv_str_ens + +## What's new in version [4.0.1](https://github.com/bioexcel/biobb_analysis/releases/tag/v4.0.1)? +In version 4.0.1 the module gmx_cluster has been fixed. + +### New features + +* Fixes in gmx_cluster + ## What's new in version [4.0.0](https://github.com/bioexcel/biobb_analysis/releases/tag/v4.0.0)? In version 4.0.0 the dependency biobb_common has been updated to 4.0.0 version. diff --git a/biobb_analysis/docs/source/conf.py b/biobb_analysis/docs/source/conf.py index e2ec162c..c187e727 100644 --- a/biobb_analysis/docs/source/conf.py +++ b/biobb_analysis/docs/source/conf.py @@ -74,9 +74,9 @@ # built documents. # # The short X.Y version. -version = u'4.0.1' +version = u'4.0.2' # The full version, including alpha/beta/rc tags. -release = u'4.0.1' +release = u'4.0.2' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/biobb_analysis/docs/source/readme.md b/biobb_analysis/docs/source/readme.md index b33ba5ea..35a2df73 100644 --- a/biobb_analysis/docs/source/readme.md +++ b/biobb_analysis/docs/source/readme.md @@ -3,7 +3,7 @@ [![](https://img.shields.io/conda/vn/bioconda/biobb_analysis?label=Conda)](https://anaconda.org/bioconda/biobb_analysis) [![](https://img.shields.io/conda/dn/bioconda/biobb_analysis?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_analysis) [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_analysis?tab=tags) -[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0) +[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0) [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_analysis) [![](https://img.shields.io/pypi/pyversions/biobb-analysis.svg?label=Python%20Versions)](https://pypi.org/project/biobb-analysis/) @@ -34,7 +34,7 @@ The latest documentation of this package can be found in our readthedocs site: [latest API documentation](http://biobb_analysis.readthedocs.io/en/latest/). ### Version -v4.0.1 2023.1 +v4.0.2 2023.2 ### Installation Using PIP: @@ -44,7 +44,7 @@ Using PIP: * Installation: - pip install "biobb_analysis>=4.0.1" + pip install "biobb_analysis>=4.0.2" * Usage: [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) @@ -54,7 +54,7 @@ Using ANACONDA: * Installation: - conda install -c bioconda "biobb_analysis>=4.0.1" + conda install -c bioconda "biobb_analysis>=4.0.2" * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-analysis.readthedocs.io/en/latest/command_line.html) @@ -64,13 +64,13 @@ Using DOCKER: * Installation: - docker pull quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0 + docker pull quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0 * Usage: - docker run quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0 + docker run quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0 Using SINGULARITY: @@ -80,7 +80,7 @@ Using SINGULARITY: * Installation: - singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0 + singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0 * Usage: diff --git a/biobb_analysis/docs/source/schema.html b/biobb_analysis/docs/source/schema.html index 3c09113a..ef2e18c8 100644 --- a/biobb_analysis/docs/source/schema.html +++ b/biobb_analysis/docs/source/schema.html @@ -10,7 +10,7 @@ "applicationSubCategory": "http://www.edamontology.org/topic_3892", "citation": "https://www.nature.com/articles/s41597-019-0177-4", "license": "https://www.apache.org/licenses/LICENSE-2.0", - "softwareVersion": "4.0.1", + "softwareVersion": "4.0.2", "applicationSuite": "BioBB BioExcel Building Blocks", "codeRepository": "https://github.com/bioexcel/biobb_analysis", "isAccessibleForFree": "True", diff --git a/biobb_analysis/json_schemas/biobb_analysis.json b/biobb_analysis/json_schemas/biobb_analysis.json index acbc7b4c..b00016c8 100644 --- a/biobb_analysis/json_schemas/biobb_analysis.json +++ b/biobb_analysis/json_schemas/biobb_analysis.json @@ -4,9 +4,9 @@ "github": "https://github.com/bioexcel/biobb_analysis", "readthedocs": "https://biobb-analysis.readthedocs.io/en/latest/", "conda": "https://anaconda.org/bioconda/biobb_analysis", - "docker": "https://quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0", - "singularity": "https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0", - "version": "4.0.1", + "docker": "https://quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0", + "singularity": "https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0", + "version": "4.0.2", "rest": true, "tools" : [ { diff --git a/setup.py b/setup.py index 6398b4f4..d7b2f53d 100644 --- a/setup.py +++ b/setup.py @@ -5,7 +5,7 @@ setuptools.setup( name="biobb_analysis", - version="4.0.1", + version="4.0.2", author="Biobb developers", author_email="genis.bayarri@irbbarcelona.org", description="Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.",