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How to install csm-openbabel via python pip




csm-openbabel - Python interface to the Open Babel chemistry library, it belongs to Classifiers:

- Environment :: Console
- Environment :: Other Environment
- Intended Audience :: Education
- Intended Audience :: Science/Research
- License :: OSI Approved :: GNU General Public License (GPL)
- Natural Language :: English
- Operating System :: MacOS
- Operating System :: MacOS :: MacOS X
- Operating System :: Microsoft
- Operating System :: Microsoft :: Windows
- Operating System :: POSIX
- Operating System :: POSIX :: Linux
- Operating System :: Unix
- Programming Language :: C
- Programming Language :: C++
- Topic :: Scientific/Engineering
- Topic :: Scientific/Engineering :: Bio-Informatics
- Topic :: Scientific/Engineering :: Chemistry

When you know about this project and you want to new install csm-openbabel to support your project or you get trouble as ModuleNotFoundError: No module named "csm-openbabel" or ImportError: cannot import name "csm-openbabel" in your project, let follow this tutorial to install csm-openbabel



Installation:

Step 1: First, ensure you installed pip in your os, to check pip has been installed on your computer

In Windows (CMD):

py -m pip --version

In Unix/macOS:

python3 -m pip --version

Ensure pip, setuptools, and wheel are up to date:

In Windows (CMD):

py -m pip install --upgrade pip setuptools wheel

In Unix/macOS:

python3 -m pip install --upgrade pip setuptools wheel


Optional - If you want to install in virtual environment:

In Windows (CMD):

- Install virtualenv - if you installed it, please ignore

py -m pip install --user virtualenv

- Create a virtual environment

py -m venv test_csm-openbabel_env

- Active the virtual environment

test_csm-openbabel_env\Scripts\active

In Unix/macOS:

- Install virtualenv - if you installed it, please ignore

pip3 install virtualenv

- Create a virtual environment

python3 -m venv test_csm-openbabel_env

- Active the virtual environment

source test_csm-openbabel_env/bin/active


Step 2: OK, now, let flow below content to start the installation csm-openbabel

To install csm-openbabel on Windows(CMD):

py -m pip install csm-openbabel

To install csm-openbabel on Unix/macOs:

pip install csm-openbabel


Step 3: If you want to install a specific csm-openbabel version, add ==<csm-openbabel version> to the end command line

Example:

pip install csm-openbabel==3.1


Please see the version list below table:

VersionReleased dateCommand
csm-openbabel 3.1.1.1 yanked2022-07-14T20:27:54Windows:

py -m pip install csm-openbabel==3.1.1.1                                                                          yanked

Unix/macOs:

pip install csm-openbabel==3.1.1.1                                                                          yanked

csm-openbabel 3.1.1 yanked2022-06-23T20:42:11Windows:

py -m pip install csm-openbabel==3.1.1                                                                          yanked

Unix/macOs:

pip install csm-openbabel==3.1.1                                                                          yanked

csm-openbabel 3.12022-07-21T09:22:09Windows:

py -m pip install csm-openbabel==3.1

Unix/macOs:

pip install csm-openbabel==3.1


Step 4: Otherwise, you can install csm-openbabel from local archives:

Download the distribution file from csm_openbabel-3.1.tar.gz or the specific csm-openbabel version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_csm-openbabel_downloaded_file>

On Unix/macOs:

pip install <path_to_csm-openbabel_downloaded_file>


List distribution:

- csm_openbabel-3.1-cp310-cp310-win_amd64.whl
- csm_openbabel-3.1-cp37-cp37m-win_amd64.whl
- csm_openbabel-3.1-cp38-cp38-win_amd64.whl
- csm_openbabel-3.1-cp39-cp39-win_amd64.whl
- csm_openbabel-3.1.tar.gz
- csm_openbabel-3.1.1-cp310-cp310-win_amd64.whl
- csm_openbabel-3.1.1-cp37-cp37m-win_amd64.whl
- csm_openbabel-3.1.1-cp38-cp38-win_amd64.whl
- csm_openbabel-3.1.1-cp39-cp39-win_amd64.whl
- csm_openbabel-3.1.1.1-cp38-cp38-win_amd64.whl


Project link:

- Homepage