- Topic :: Scientific/Engineering :: Chemistry
- Topic :: Scientific/Engineering :: Physics
When you know about this project and you want to new install psi4-step to support your project or you get trouble as ModuleNotFoundError: No module named "psi4-step" or ImportError: cannot import name "psi4-step" in your project, let follow this tutorial to install psi4-step
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 Windows (CMD):
- Install virtualenv - if you installed it, please ignore
py -m pip install --user virtualenv
- Create a virtual environment
py -m venv test_psi4-step_env
- Active the virtual environment
test_psi4-step_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_psi4-step_env
- Active the virtual environment
source test_psi4-step_env/bin/active
To install psi4-step on Windows(CMD):
py -m pip install psi4-step
To install psi4-step on Unix/macOs:
pip install psi4-step
Example:
pip install psi4-step==2020.7.0
Please see the version list below table:
Version | Released date | Command |
---|---|---|
psi4-step 2021.10.13 | 2021-10-14T01:21:20 | Windows: Unix/macOs:
|
psi4-step 2021.6.3 | 2021-06-03T23:59:39 | Windows: Unix/macOs:
|
psi4-step 2021.5.25 | 2021-05-25T19:31:22 | Windows: Unix/macOs:
|
psi4-step 2021.2.11 | 2021-02-11T23:51:20 | Windows: Unix/macOs:
|
psi4-step 2021.2.4 | 2021-02-04T20:48:02 | Windows: Unix/macOs:
|
psi4-step 2020.12.5 | 2020-12-05T16:28:38 | Windows: Unix/macOs:
|
psi4-step 2020.9.28 | 2020-09-28T20:18:16 | Windows: Unix/macOs:
|
psi4-step 2020.8.1 | 2020-08-01T19:01:54 | Windows: Unix/macOs:
|
psi4-step 2020.7.3 | 2020-07-24T20:31:04 | Windows: Unix/macOs:
|
psi4-step 2020.7.2 | 2020-07-23T22:00:51 | Windows: Unix/macOs:
|
psi4-step 2020.7.1 | 2020-07-23T11:18:51 | Windows: Unix/macOs:
|
psi4-step 2020.7.0 | 2020-07-22T00:17:44 | Windows: Unix/macOs:
|
Download the distribution file from psi4_step-2021.10.13.tar.gz or the specific psi4-step version in the below list of distribution
After that, install by command:
On Windows(CMD):
py -m pip install <path_to_psi4-step_downloaded_file>
On Unix/macOs:
pip install <path_to_psi4-step_downloaded_file>
List distribution:
Project link:
- Homepage