diff --git a/README.md b/README.md index b5bb0cd..714d5d9 100644 --- a/README.md +++ b/README.md @@ -35,7 +35,7 @@ The latest documentation of this package can be found in our readthedocs site: [latest API documentation](http://biobb_flexserv.readthedocs.io/en/latest/). ### Version -v3.9.1 2022.4 +v4.0.0 2023.1 ### Installation Using PIP: @@ -45,7 +45,7 @@ Using PIP: * Installation: - pip install "biobb_flexserv>=3.9.1" + pip install "biobb_flexserv>=4.0.0" * Usage: [Python API documentation](https://biobb-flexserv.readthedocs.io/en/latest/modules.html) @@ -55,23 +55,23 @@ Using ANACONDA: * Installation: - conda install -c bioconda "biobb_flexserv>=3.9.1" + conda install -c bioconda "biobb_flexserv>=4.0.0" * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-flexserv.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-flexserv.readthedocs.io/en/latest/command_line.html) - The command list and specification can be found at the [Command Line documentation](https://biobb-flexserv.readthedocs.io/en/latest/command_line.html). diff --git a/biobb_flexserv/__init__.py b/biobb_flexserv/__init__.py index bc2f7db..fcef9b7 100644 --- a/biobb_flexserv/__init__.py +++ b/biobb_flexserv/__init__.py @@ -1,3 +1,3 @@ name = "biobb_flexserv" __all__ = ["flexserv","pcasuite"] -__version__ = "3.9.1" \ No newline at end of file +__version__ = "4.0.0" \ No newline at end of file diff --git a/biobb_flexserv/docs/source/change_log.md b/biobb_flexserv/docs/source/change_log.md index dd9aab7..4d4d19a 100644 --- a/biobb_flexserv/docs/source/change_log.md +++ b/biobb_flexserv/docs/source/change_log.md @@ -1,5 +1,12 @@ # Biobb FlexServ changelog +## What's new in version [4.0.0](https://github.com/bioexcel/biobb_flexserv/releases/tag/v4.0.0)? +In version 4.0.0 the dependency biobb_common has been updated to 4.0.0 version. + +### New features + +* Update to biobb_common 4.0.0 (general) + ## What's new in version [3.9.1](https://github.com/bioexcel/biobb_flexserv/releases/tag/v3.9.1)? The version 3.9.1 fixes a bug in Python dependencies. diff --git a/biobb_flexserv/docs/source/conf.py b/biobb_flexserv/docs/source/conf.py index 6c59110..662be25 100644 --- a/biobb_flexserv/docs/source/conf.py +++ b/biobb_flexserv/docs/source/conf.py @@ -71,7 +71,7 @@ # General information about the project. project = u'biobb_flexserv' -copyright = u'2022, Bioexcel Project' +copyright = u'2023, Bioexcel Project' author = u'Bioexcel Project' # The version info for the project you're documenting, acts as replacement for @@ -79,9 +79,9 @@ # built documents. # # The short X.Y version. -version = u'3.9.1' +version = u'4.0.0' # The full version, including alpha/beta/rc tags. -release = u'3.9.1' +release = u'4.0.0' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/biobb_flexserv/docs/source/readme.md b/biobb_flexserv/docs/source/readme.md index 035e4fd..714d5d9 100644 --- a/biobb_flexserv/docs/source/readme.md +++ b/biobb_flexserv/docs/source/readme.md @@ -1,9 +1,27 @@ -[![](https://readthedocs.org/projects/biobb-flexserv/badge/?version=latest)](https://biobb-flexserv.readthedocs.io/en/latest/?badge=latest) -[![](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](https://anaconda.org/bioconda/biobb_flexserv) - +[![](https://img.shields.io/github/v/tag/bioexcel/biobb_flexserv?label=Version)](https://GitHub.com/bioexcel/biobb_flexserv/tags/) +[![](https://img.shields.io/pypi/v/biobb-flexserv.svg?label=Pypi)](https://pypi.python.org/pypi/biobb-flexserv/) +[![](https://img.shields.io/conda/vn/bioconda/biobb_flexserv?label=Conda)](https://anaconda.org/bioconda/biobb_flexserv) +[![](https://img.shields.io/conda/dn/bioconda/biobb_flexserv?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_flexserv) +[![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_flexserv?tab=tags) +[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_flexserv:4.0.0--pyhdfd78af_0) + +[![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_flexserv) +[![](https://img.shields.io/pypi/pyversions/biobb-flexserv.svg?label=Python%20Versions)](https://pypi.org/project/biobb-flexserv/) [![](https://img.shields.io/badge/License-Apache%202.0-blue.svg)](https://opensource.org/licenses/Apache-2.0) +[![](https://img.shields.io/badge/Open%20Source%3f-Yes!-blue)](https://github.com/bioexcel/biobb_flexserv) + +[![](https://readthedocs.org/projects/biobb-flexserv/badge/?version=latest&label=Docs)](https://biobb-flexserv.readthedocs.io/en/latest/?badge=latest) +[![](https://img.shields.io/website?down_message=Offline&label=Biobb%20Website&up_message=Online&url=https%3A%2F%2Fmmb.irbbarcelona.org%2Fbiobb%2F)](https://mmb.irbbarcelona.org/biobb/) +[![](https://img.shields.io/badge/Youtube-tutorial-blue?logo=youtube&logoColor=red)](https://www.youtube.com/watch?v=ou1DOGNs0xM) +[![](https://zenodo.org/badge/DOI/10.1038/s41597-019-0177-4.svg)](https://doi.org/10.1038/s41597-019-0177-4) +[![](https://img.shields.io/endpoint?color=brightgreen&url=https%3A%2F%2Fapi.juleskreuer.eu%2Fcitation-badge.php%3Fshield%26doi%3D10.1038%2Fs41597-019-0177-4)](https://www.nature.com/articles/s41597-019-0177-4#citeas) + +[![](https://docs.bioexcel.eu/biobb_flexserv/junit/testsbadge.svg)](https://docs.bioexcel.eu/biobb_flexserv/junit/report.html) +[![](https://docs.bioexcel.eu/biobb_flexserv/coverage/coveragebadge.svg)](https://docs.bioexcel.eu/biobb_flexserv/coverage/) +[![](https://docs.bioexcel.eu/biobb_flexserv/flake8/flake8badge.svg)](https://docs.bioexcel.eu/biobb_flexserv/flake8/) +[![](https://img.shields.io/github/last-commit/bioexcel/biobb_flexserv?label=Last%20Commit)](https://github.com/bioexcel/biobb_flexserv/commits/master) +[![](https://img.shields.io/github/issues/bioexcel/biobb_flexserv.svg?color=brightgreen&label=Issues)](https://GitHub.com/bioexcel/biobb_flexserv/issues/) + # biobb_flexserv @@ -17,7 +35,7 @@ The latest documentation of this package can be found in our readthedocs site: [latest API documentation](http://biobb_flexserv.readthedocs.io/en/latest/). ### Version -v3.9.1 2022.4 +v4.0.0 2023.1 ### Installation Using PIP: @@ -27,7 +45,7 @@ Using PIP: * Installation: - pip install "biobb_flexserv>=3.9.1" + pip install "biobb_flexserv>=4.0.0" * Usage: [Python API documentation](https://biobb-flexserv.readthedocs.io/en/latest/modules.html) @@ -37,23 +55,23 @@ Using ANACONDA: * Installation: - conda install -c bioconda "biobb_flexserv>=3.9.1" + conda install -c bioconda "biobb_flexserv>=4.0.0" * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-flexserv.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-flexserv.readthedocs.io/en/latest/command_line.html) - The command list and specification can be found at the [Command Line documentation](https://biobb-flexserv.readthedocs.io/en/latest/command_line.html). diff --git a/biobb_flexserv/docs/source/schema.html b/biobb_flexserv/docs/source/schema.html index 3472bf3..bcab2d3 100644 --- a/biobb_flexserv/docs/source/schema.html +++ b/biobb_flexserv/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": "3.9.1", + "softwareVersion": "4.0.0", "applicationSuite": "BioBB BioExcel Building Blocks", "codeRepository": "https://github.com/bioexcel/biobb_flexserv", "isAccessibleForFree": "True", diff --git a/biobb_flexserv/json_schemas/biobb_flexserv.json b/biobb_flexserv/json_schemas/biobb_flexserv.json index f975734..a04916c 100644 --- a/biobb_flexserv/json_schemas/biobb_flexserv.json +++ b/biobb_flexserv/json_schemas/biobb_flexserv.json @@ -4,9 +4,9 @@ "github": "https://github.com/bioexcel/biobb_flexserv", "readthedocs": "https://biobb-flexserv.readthedocs.io/en/latest/", "conda": "https://anaconda.org/bioconda/biobb_flexserv", - "docker": "https://quay.io/biocontainers/biobb_flexserv:3.9.1--pyhdfd78af_1", - "singularity": "https://depot.galaxyproject.org/singularity/biobb_flexserv:3.9.1--pyhdfd78af_1", - "version": "3.9.1", + "docker": "https://quay.io/biocontainers/biobb_flexserv:4.0.0--pyhdfd78af_1", + "singularity": "https://depot.galaxyproject.org/singularity/biobb_flexserv:4.0.0--pyhdfd78af_1", + "version": "4.0.0", "tools" : [ { "block" : "BDRun", @@ -108,12 +108,12 @@ } ], "dep_pypi" : [ - "install_requires=['biobb_common==3.9.0']", + "install_requires=['biobb_common==4.0.0']", "python_requires='>=3.7,<3.10'" ], "dep_conda" : [ "python >=3.7,<3.10", - "biobb_common ==3.9.0", + "biobb_common ==4.0.0", "flexserv ==1.0.2" ], "keywords" : [ diff --git a/setup.py b/setup.py index 954015f..40a4dda 100644 --- a/setup.py +++ b/setup.py @@ -5,7 +5,7 @@ setuptools.setup( name="biobb_flexserv", - version="3.9.1", + version="4.0.0", author="Biobb developers", author_email="adam.hospital@irbbarcelona.org", description="biobb_flexserv is a BioBB category for biomolecular flexibility studies on protein 3D structures.", @@ -19,7 +19,7 @@ }, packages=setuptools.find_packages(exclude=['docs', 'test']), include_package_data=True, - install_requires=['biobb_common==3.9.0'], + install_requires=['biobb_common==4.0.0'], python_requires='>=3.7,<3.10', entry_points={ "console_scripts": [