pyscf

PySCF: Python-based Simulations of Chemistry Framework

Installation

In a virtualenv (see these instructions if you need to create one):

sudo apt install libatlas3-base libgfortran5
pip3 install pyscf
PyPI page
pypi.org/project/pyscf
Project JSON
piwheels.org/project/pyscf/json
Versions
49
Files
22
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Downloads (last 30 days)
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Releases

Version Released Bullseye
Python 3.9		 Bookworm
Python 3.11		 Files
2.9.0 2025-04-21
2.8.0 2025-01-10    
2.7.0 2024-09-26    
2.6.2 2024-06-20    
2.6.1 2024-06-18    
2.6.0 2024-06-01    
2.5.0 2024-02-05    
2.4.0 2023-10-16    
2.3.0 2023-07-08    
2.2.1 2023-04-01    
2.2.0 2023-03-15    
2.1.1 2022-09-23    
2.1.0 2022-09-03    
2.0.1 2021-11-04    
2.0.0 2021-11-01    
1.7.6.post1 2021-03-30
1.7.6 2021-03-29    
1.7.5.2 2020-11-22
1.7.5.1 2020-10-08
1.7.5 2020-10-08    
1.7.4 2020-08-03    
1.7.3 2020-06-11    
1.7.2.post2 2020-05-19
1.7.2 2020-05-14    
1.7.1.post1 2020-03-11
1.7.1 2020-03-01    
1.7.0 2020-01-02    
1.6.6 2020-01-02    
1.6.5 2019-11-18    
1.6.4 2019-09-16    
1.6.3 2019-07-29    
1.6.2 2019-06-18    
1.6.1.post1 2019-03-19
1.6.1 2019-03-16    
1.6 2019-01-01    
1.5.5 2019-01-01    
1.5.4 2018-11-17    
1.5.3 2018-09-06    
1.5.2 2018-08-21
1.5.1 2018-07-02    
1.5.0.2 2018-06-08
1.5.0 2018-06-08    
1.4.6 2018-04-03
1.4.5 2018-03-23    
1.4.4 2018-03-21    
1.4.3 2018-02-11    
1.4.2 2017-12-13    
1.4.0.9 2017-10-30    
1.4.0 2017-10-09    

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Page last updated 2025-05-23 15:13:14 UTC