PyQuante 1.5.1 Release For Windows
02/21/07 11:29
Noel O'Boyle has created a windows installer for
PyQuante 1.5.1. Here's Noel's announcement from the
mailing list:
Releases of PyQuante 1.5.1 for Pythons 2.4 and 2.5 on Windows are now
available for download from:
http://sourceforge.net/project/showfiles.php?group_id=43213&package_id=173119
Required:
(1) An installation of Python 2.4 or Python 2.5
(2) NumPy, available from http://numpy.scipy.org/ (click "Download NumPy").
Note:
(1) Make sure that the version of PyQuante and NumPy you download
matches the Python version (that is, "py2.4" for Python 2.4)
To test:
(1) Start a command prompt, and change directory to the Tests
subdirectory of PyQuante
(2) Run "python runalltests.py". Your output should be something like
the following:
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
C:\PyQuante-1.5.1> C:\Python25\python runalltests.py
Energy of Be/OEP close to -7.98? ... ok
Energy of H2 (using Gaussians) close to -1.08? ... ok
Energy of He (using Gaussians) close to -2.855? ... ok
Energy of H2O close to -76.011751? ... ok
Energy of H2O (Mindo) close to -48.825159? ... ok
Energy of OH (Mindo) close to 18.128? ... ok
----------------------------------------------------------------------
Ran 6 tests in 23.589s
OK
Releases of PyQuante 1.5.1 for Pythons 2.4 and 2.5 on Windows are now
available for download from:
http://sourceforge.net/project/showfiles.php?group_id=43213&package_id=173119
Required:
(1) An installation of Python 2.4 or Python 2.5
(2) NumPy, available from http://numpy.scipy.org/ (click "Download NumPy").
Note:
(1) Make sure that the version of PyQuante and NumPy you download
matches the Python version (that is, "py2.4" for Python 2.4)
To test:
(1) Start a command prompt, and change directory to the Tests
subdirectory of PyQuante
(2) Run "python runalltests.py". Your output should be something like
the following:
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
C:\PyQuante-1.5.1> C:\Python25\python runalltests.py
Energy of Be/OEP close to -7.98? ... ok
Energy of H2 (using Gaussians) close to -1.08? ... ok
Energy of He (using Gaussians) close to -2.855? ... ok
Energy of H2O close to -76.011751? ... ok
Energy of H2O (Mindo) close to -48.825159? ... ok
Energy of OH (Mindo) close to 18.128? ... ok
----------------------------------------------------------------------
Ran 6 tests in 23.589s
OK