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How to install qforce via python pip




qforce - Q-Force: Quantum mechanically augmented molecular force fields, it belongs to Classifiers:

- Topic :: Scientific/Engineering :: Chemistry

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



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_qforce_env

- Active the virtual environment

test_qforce_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_qforce_env

- Active the virtual environment

source test_qforce_env/bin/active


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

To install qforce on Windows(CMD):

py -m pip install qforce

To install qforce on Unix/macOs:

pip install qforce


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

Example:

pip install qforce==0.6.2


Please see the version list below table:

VersionReleased dateCommand
qforce 0.6.72022-05-20T09:58:20Windows:

py -m pip install qforce==0.6.7

Unix/macOs:

pip install qforce==0.6.7

qforce 0.6.62022-05-06T14:43:54Windows:

py -m pip install qforce==0.6.6

Unix/macOs:

pip install qforce==0.6.6

qforce 0.6.52022-05-04T09:04:14Windows:

py -m pip install qforce==0.6.5

Unix/macOs:

pip install qforce==0.6.5

qforce 0.6.42022-04-20T07:56:39Windows:

py -m pip install qforce==0.6.4

Unix/macOs:

pip install qforce==0.6.4

qforce 0.6.32022-01-24T11:02:32Windows:

py -m pip install qforce==0.6.3

Unix/macOs:

pip install qforce==0.6.3

qforce 0.6.22022-01-04T14:49:50Windows:

py -m pip install qforce==0.6.2

Unix/macOs:

pip install qforce==0.6.2


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

Download the distribution file from qforce-0.6.7.tar.gz or the specific qforce version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_qforce_downloaded_file>

On Unix/macOs:

pip install <path_to_qforce_downloaded_file>


List distribution:


Project link:

- Homepage