PySCF
Compiler/GCC/12.3.0
2.4.0
Description
===========
PySCF is an open-source collection of electronic structure modules powered by Python.
More information
================
- Homepage: http://www.pyscf.org
- Dependencies:
- Python/3.11.3
- SciPy-bundle/2023.07
- h5py/3.9.0-serial
- libcint/5.4.0
- libxc/6.2.2
- XCFun/2.1.1
| EBROOTPYSCF | /p/software/deep/stages/2024/software/PySCF/2.4.0-GCC-12.3.0 |
| EBVERSIONPYSCF | 2.4.0 |
| EBDEVELPYSCF | /p/software/deep/stages/2024/software/PySCF/2.4.0-GCC-12.3.0/easybuild/Compiler-GCC-12.3.0-PySCF-2.4.0-easybuild-devel |
| +CMAKE_PREFIX_PATH | /p/software/deep/stages/2024/software/PySCF/2.4.0-GCC-12.3.0 |
| +PYTHONPATH | /p/software/deep/stages/2024/software/PySCF/2.4.0-GCC-12.3.0 |