2024.1

bioexcel · May 24, 2024 · 37a74c2 · 37a74c2
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diff --git a/README.md b/README.md
@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_cmip?label=Conda)](https://anaconda.org/bioconda/biobb_cmip)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_cmip?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_cmip)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_cmip?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_cmip:4.1.1--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_cmip:4.2.0--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_cmip)
 [![](https://img.shields.io/pypi/pyversions/biobb-cmip.svg?label=Python%20Versions)](https://pypi.org/project/biobb-cmip/)
@@ -40,7 +40,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-cmip.readthedocs.io/en/latest/).
 
 ### Version
-v4.1.1 2024.1
+v4.2.0 2024.1
 
 ### Installation
 Using PIP:
@@ -50,7 +50,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_cmip>=4.1.1"
+        pip install "biobb_cmip>=4.2.0"
 
 
 * Usage: [Python API documentation](https://biobb-cmip.readthedocs.io/en/latest/modules.html)
@@ -60,7 +60,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_cmip>=4.1.1"
+        conda install -c bioconda "biobb_cmip>=4.2.0"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-cmip.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-cmip.readthedocs.io/en/latest/command_line.html)
@@ -70,13 +70,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_cmip:4.1.1--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_cmip:4.2.0--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_cmip:4.1.1--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_cmip:4.2.0--pyhdfd78af_0 <command>
 
 
 Using SINGULARITY:
@@ -86,7 +86,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_cmip.sif https://depot.galaxyproject.org/singularity/biobb_cmip:4.1.1--pyhdfd78af_0
+        singularity pull --name biobb_cmip.sif https://depot.galaxyproject.org/singularity/biobb_cmip:4.2.0--pyhdfd78af_0
 
 
 * Usage:

diff --git a/biobb_cmip/__init__.py b/biobb_cmip/__init__.py
@@ -1,3 +1,3 @@
 name = "biobb_cmip"
 __all__ = ["cmip"]
-__version__ = "4.1.1"
+__version__ = "4.2.0"
diff --git a/biobb_cmip/docs/source/change_log.md b/biobb_cmip/docs/source/change_log.md
@@ -1,5 +1,12 @@
 # Biobb CMIP changelog
 
+## What's new in version [4.2.0](https://github.com/bioexcel/biobb_cmip/releases/tag/v4.2.0)?
+In version 4.2.0 the dependency biobb_common has been updated to 4.2.0 version.
+
+### New features
+
+* Update to biobb_common 4.2.0 (general)
+
 ## What's new in version [4.1.1](https://github.com/bioexcel/biobb_cmip/releases/tag/4.1.1)?
 Fixed command line paths.
 

diff --git a/biobb_cmip/docs/source/conf.py b/biobb_cmip/docs/source/conf.py
@@ -76,9 +76,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = u'4.1.1'
+version = u'4.2.0'
 # The full version, including alpha/beta/rc tags.
-release = u'4.1.1'
+release = u'4.2.0'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

diff --git a/biobb_cmip/docs/source/readme.md b/biobb_cmip/docs/source/readme.md
@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_cmip?label=Conda)](https://anaconda.org/bioconda/biobb_cmip)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_cmip?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_cmip)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_cmip?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_cmip:4.1.1--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_cmip:4.2.0--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_cmip)
 [![](https://img.shields.io/pypi/pyversions/biobb-cmip.svg?label=Python%20Versions)](https://pypi.org/project/biobb-cmip/)
@@ -40,7 +40,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-cmip.readthedocs.io/en/latest/).
 
 ### Version
-v4.1.1 2024.1
+v4.2.0 2024.1
 
 ### Installation
 Using PIP:
@@ -50,7 +50,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_cmip>=4.1.1"
+        pip install "biobb_cmip>=4.2.0"
 
 
 * Usage: [Python API documentation](https://biobb-cmip.readthedocs.io/en/latest/modules.html)
@@ -60,7 +60,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_cmip>=4.1.1"
+        conda install -c bioconda "biobb_cmip>=4.2.0"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-cmip.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-cmip.readthedocs.io/en/latest/command_line.html)
@@ -70,13 +70,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_cmip:4.1.1--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_cmip:4.2.0--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_cmip:4.1.1--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_cmip:4.2.0--pyhdfd78af_0 <command>
 
 
 Using SINGULARITY:
@@ -86,7 +86,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_cmip.sif https://depot.galaxyproject.org/singularity/biobb_cmip:4.1.1--pyhdfd78af_0
+        singularity pull --name biobb_cmip.sif https://depot.galaxyproject.org/singularity/biobb_cmip:4.2.0--pyhdfd78af_0
 
 
 * Usage:

diff --git a/biobb_cmip/docs/source/schema.html b/biobb_cmip/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": "4.1.1",
+  "softwareVersion": "4.2.0",
   "applicationSuite": "BioBB BioExcel Building Blocks",
   "codeRepository": "https://github.com/bioexcel/biobb_cmip",
   "isAccessibleForFree": "True",

diff --git a/biobb_cmip/json_schemas/biobb_cmip.json b/biobb_cmip/json_schemas/biobb_cmip.json
@@ -4,9 +4,9 @@
     "github": "https://github.com/bioexcel/biobb_cmip",
     "readthedocs": "https://biobb-cmip.readthedocs.io/en/latest/",
     "conda": "https://anaconda.org/bioconda/biobb_cmip",
-    "docker": "https://quay.io/biocontainers/biobb_cmip:4.1.1--pyhdfd78af_0",
-    "singularity": "https://depot.galaxyproject.org/singularity/biobb_cmip:4.1.1--pyhdfd78af_0",
-    "version": "4.1.1",
+    "docker": "https://quay.io/biocontainers/biobb_cmip:4.2.0--pyhdfd78af_0",
+    "singularity": "https://depot.galaxyproject.org/singularity/biobb_cmip:4.2.0--pyhdfd78af_0",
+    "version": "4.2.0",
     "tools" : [
         {
             "block" : "CmipRun",
@@ -45,12 +45,12 @@
         }
     ],
     "dep_pypi" : [
-        "install_requires=['biobb_common==4.1.0', 'mdanalysis', 'biobb_structure_checking==3.13.4']",
+        "install_requires=['biobb_common==4.2.0', 'mdanalysis', 'biobb_structure_checking==3.13.4']",
         "python_requires='>=3.8'"
     ],
     "dep_conda" : [
         "python >=3.8",
-        "biobb_common ==4.1.0",
+        "biobb_common ==4.2.0",
         "cmip ==2.7.0",
         "mdanalysis >=2.0.0",
         "biobb_structure_checking==3.13.4"

diff --git a/setup.py b/setup.py
@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="biobb_cmip",
-    version="4.1.1",
+    version="4.2.0",
     author="Biobb developers",
     author_email="[email protected]",
     description="biobb_cmip is the Biobb module collection to compute classical molecular interaction potentials.",
@@ -20,7 +20,7 @@
     packages=setuptools.find_packages(exclude=['docs', 'test']),
     include_package_data=True,
     install_requires=[
-        'biobb_common==4.1.0',
+        'biobb_common==4.2.0',
         'mdanalysis>=2.0.0',
         'biobb_structure_checking==3.13.4'
     ],