How to install molgrid via python pip

- License :: OSI Approved :: GNU General Public License v2 (GPLv2)
- Programming Language :: C
- Programming Language :: C++
- Topic :: Scientific/Engineering :: Chemistry

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

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

py -m pip install --user virtualenv

py -m venv test_molgrid_env

test_molgrid_env\Scripts\active

pip3 install virtualenv

python3 -m venv test_molgrid_env

source test_molgrid_env/bin/active

Step 2: OK, now, let flow below content to start the installation molgrid

To install molgrid on Windows(CMD):

py -m pip install molgrid

To install molgrid on Unix/macOs:

pip install molgrid

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

Example:

pip install molgrid==0.1.1

Please see the version list below table:

py -m pip install molgrid==0.5.2

pip install molgrid==0.5.2

py -m pip install molgrid==0.5.1

pip install molgrid==0.5.1

py -m pip install molgrid==0.2.1

pip install molgrid==0.2.1

py -m pip install molgrid==0.2.0

pip install molgrid==0.2.0

py -m pip install molgrid==0.1.3

pip install molgrid==0.1.3

py -m pip install molgrid==0.1.2

pip install molgrid==0.1.2

py -m pip install molgrid==0.1.1

pip install molgrid==0.1.1

Step 4: Otherwise, you can install molgrid from local archives:

Download the distribution file from molgrid-0.5.2-py3-none-manylinux_2_17_x86_64.manylinux2014_x86_64.whl or the specific molgrid version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_molgrid_downloaded_file>

On Unix/macOs:

pip install <path_to_molgrid_downloaded_file>

List distribution:

- molgrid-0.1.1-py3-none-manylinux1_x86_64.whl (python version >=3)
- molgrid-0.1.2-py3-none-manylinux1_x86_64.whl (python version >=3)
- molgrid-0.1.3-py3-none-manylinux1_x86_64.whl (python version >=3)
- molgrid-0.2.0-py3-none-manylinux1_x86_64.whl (python version >=3)
- molgrid-0.2.1-py3-none-manylinux1_x86_64.whl (python version >=3)
- molgrid-0.5.1-py3-none-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (python version >=3)
- molgrid-0.5.2-py3-none-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (python version >=3)

Project link:

- Homepage
- Documentation