Metadata-Version: 2.1
Name: CIMtools
Version: 4.0.8
Summary: UNKNOWN
Home-page: https://github.com/stsouko/CIMtools
Author: Dr. Ramil Nugmanov
Author-email: nougmanoff@protonmail.com
License: GPLv3
Description: CIMtools
        =========
        ChemoInformatics Modeling tools distributive.  
        Include ISIDA Fragmentor python wrapper and RDtool atom-to-atom mapper python wrapper.
        
        
        INSTALL
        =======
        
        Linux Debian based
        ------------------
        
        * Install python3.7, virtualenv and git::
        
            sudo apt install python3.7 python3.7-dev git python3-virtualenv
            
        * Create new environment and activate it::
        
            virtualenv -p python3.7 venv
            source venv/bin/activate
        
        Mac
        ---
        * Install python3.7 and git using <https://brew.sh>::
        
            brew install git
            brew install python3
        
        * Install virtualenv::
        
            pip install virtualenv
        
        * Create new environment and activate it::
        
            virtualenv -p python3.7 venv
            source venv/bin/activate
        
        Windows
        -------
        
        * Install python3.7 and git using <https://chocolatey.org/>::
        
            choco install git
            choco install python3
            
        * Install virtualenv::
        
            pip install virtualenv
        
        * Create new environment and activate it::
        
            virtualenv venv
            venv\Scripts\activate
        
        General part
        ------------
        
        * **stable version will be available through PyPI**::
        
            pip install CIMtools
        
        * Install CGRtools library DEV version for features that are not well tested. Git lfs installation required <https://git-lfs.github.com/>::
        
            pip install -U git+https://github.com/cimm-kzn/CIMtools.git@master#egg=CIMtools
        
        **If you still have questions, please open issue within github.**
        
        SETUP
        =====
        
        For ChemAxon standardizer used pyjnius. First of all install JDK (not JRE) OpenJDK or Oracle.
        Some times it can't to find java installation properly. Just set environment variables::
        
            JAVA_HOME = '/path/to/dir/which/contain/bin/dir'. for example /usr/lib/jvm/java-11-openjdk-amd64
            JVM_PATH = '/path/to/lib/server/libjvm.so'. For example '/usr/lib/jvm/java-11-openjdk-amd64/lib/server/libjvm.so' 
        
        PACKAGING
        =========
        
        For wheel generation just type next command in source root::
        
            python setup.py bdist_wheel
        
        On Linux additionally do repairing of package::
        
            pip install auditwheel
            auditwheel repair dist/CIMtools-<version>-<python_version>-linux_x86_64.whl
        
        COPYRIGHT
        =========
        
        2015-2020 Ramil Nugmanov <nougmanoff@protonmail.com> main developer   
        
        CONTRIBUTORS
        ============
        
        * Assima Rakhimbekova <asima.astana@outlook.com>
        * Tagir Akhmetshin <tagirshin@gmail.com>
        * Zarina Ibragimova <zarinaIbr12@yandex.ru>
        
Platform: UNKNOWN
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Software Development
Classifier: Topic :: Software Development :: Libraries
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.6.1
Provides-Extra: gnnfp
