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python3-pyscf-2.2.1-1.fc38.x86_64.rpm

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توضیحات

Python 3 module for quantum chemistry
ویژگی مقدار
سیستم عامل Linux
توزیع Fedora 38
مخزن Fedora Everything x86_64
نام بسته python3-pyscf
نام فایل بسته python3-pyscf-2.2.1-1.fc38.x86_64.rpm
نسخه بسته 2.2.1
انتشار بسته 1.fc38
معماری بسته x86_64
نگهدارنده -
تاریخ ساخت Mon 03 Apr 2023 02
هاست سازنده buildvm-x86-22.iad2.fedoraproject.org
نوع بسته .rpm
آدرس صفحه اصلی https://github.com/pyscf/pyscf/
مجوز ASL 2.0
حجم دانلود 12M
حجم نصب 76.315M
Python‐based simulations of chemistry framework (PySCF) is a general‐purpose electronic structure platform designed from the ground up to emphasize code simplicity, so as to facilitate new method development and enable flexible computational workflows. The package provides a wide range of tools to support simulations of finite‐size systems, extended systems with periodic boundary conditions, low‐dimensional periodic systems, and custom Hamiltonians, using mean‐field and post‐mean‐field methods with standard Gaussian basis functions. To ensure ease of extensibility, PySCF uses the Python language to implement almost all of its features, while computationally critical paths are implemented with heavily optimized C routines. Using this combined Python/C implementation, the package is as efficient as the best existing C or Fortran‐based quantum chemistry programs.


جایگزین ها

بسته نسخه معماری مخزن
python3-pyscf-2.1.1-3.fc38.aarch64.rpm 2.1.1 aarch64 Fedora Everything
python3-pyscf-2.1.1-3.fc38.x86_64.rpm 2.1.1 x86_64 Fedora Everything
python3-pyscf-2.2.1-1.fc38.aarch64.rpm 2.2.1 aarch64 Fedora Everything
python3-pyscf-debuginfo-2.1.1-3.fc38.aarch64.rpm 2.1.1 aarch64 Fedora Everything
python3-pyscf-debuginfo-2.1.1-3.fc38.x86_64.rpm 2.1.1 x86_64 Fedora Everything
python3-pyscf-debuginfo-2.2.1-1.fc38.aarch64.rpm 2.2.1 aarch64 Fedora Everything
python3-pyscf-debuginfo-2.2.1-1.fc38.x86_64.rpm 2.2.1 x86_64 Fedora Everything


نیازمندی

مقدار نام
- libc.so.6()(64bit)
- libc.so.6(GLIBC_2.14)(64bit)
- libc.so.6(GLIBC_2.2.5)(64bit)
- libc.so.6(GLIBC_2.3.4)(64bit)
- libc.so.6(GLIBC_2.4)(64bit)
- libcint.so.5()(64bit)
- libflexiblas.so.3()(64bit)
- libgcc_s.so.1()(64bit)
- libgcc_s.so.1(GCC_3.3.1)(64bit)
- libgomp.so.1()(64bit)
- libgomp.so.1(GOMP_1.0)(64bit)
- libgomp.so.1(GOMP_4.0)(64bit)
- libgomp.so.1(GOMP_4.5)(64bit)
- libgomp.so.1(OMP_1.0)(64bit)
- libxc.so.12()(64bit)
- libxcfun.so.2()(64bit)
= 3.11 python(abi)
- python3-h5py
- python3-numpy
- python3-scipy
- rtld(GNU_HASH)


ارائه دهنده

مقدار نام
= 2.2.1-1.fc38 python-pyscf
= 2.2.1-1.fc38 python3-pyscf
= 2.2.1-1.fc38 python3-pyscf(x86-64)
= 2.2.1-1.fc38 python3.11-pyscf


نحوه نصب


نصب پکیج rpm python3-pyscf:

    dnf install python3-pyscf-2.2.1-1.fc38.x86_64.rpm


فایل ها

مسیرها
/usr/lib/.build-id
/usr/lib/.build-id/0a
/usr/lib/.build-id/0a/472ed073f8470185b69acfa39cffeb15fa6f70
/usr/lib/.build-id/3c
/usr/lib/.build-id/3c/7ef7e61622733086c31e6663aa562d5a6d10b9
/usr/lib/.build-id/3e
/usr/lib/.build-id/3e/43a023cae39bd3f167835530732c8d398125e3
/usr/lib/.build-id/5c
/usr/lib/.build-id/5c/377686e01a88e1cc621f390d9ff881872a5ee8
/usr/lib/.build-id/6b
/usr/lib/.build-id/6b/911a4651a34648b063919b207676d0d0781a92
/usr/lib/.build-id/70
/usr/lib/.build-id/70/0da2d4947d306a85a495638ae2dfcff090b30c
/usr/lib/.build-id/74
/usr/lib/.build-id/74/98be88689ee7a6a19fcb005b3139d4c91c3400
/usr/lib/.build-id/8f
/usr/lib/.build-id/8f/de92f31a89fa736f72e231e16e3cdd2639b6dd
/usr/lib/.build-id/94
/usr/lib/.build-id/94/dc376d194877f5f36a92a9c1656a3b882736b8
/usr/lib/.build-id/cd
/usr/lib/.build-id/cd/1234e54d54e17ab602587d2e9aab153d041e8b
/usr/lib/.build-id/cd/be67bbbace829ff25c091b330fe0c6882a617d
/usr/lib/.build-id/cf
/usr/lib/.build-id/cf/01fd4e2869d73814f42625c91cfa91d948748c
/usr/lib/.build-id/d0
/usr/lib/.build-id/d0/137a30ff957606438cf8bb2c40850fd3c5f720
/usr/lib64/python3.11/site-packages/pyscf
/usr/lib64/python3.11/site-packages/pyscf/__all__.py
/usr/lib64/python3.11/site-packages/pyscf/__config__.py
/usr/lib64/python3.11/site-packages/pyscf/__init__.py
/usr/lib64/python3.11/site-packages/pyscf/__pycache__
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/__all__.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/__all__.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/__config__.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/__config__.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/__init__.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/post_scf.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/__pycache__/post_scf.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc
/usr/lib64/python3.11/site-packages/pyscf/adc/__init__.py
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/__init__.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/dfadc.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/dfadc.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/radc.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/radc.cpython-311.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/radc_amplitudes.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/pyscf/adc/__pycache__/radc_amplitudes.cpython-311.pyc
... and 3206 more


گزارش تغییرات

تاریخ آخرین تغییر جزئیات
2023-04-03

Update to 2.2.1.

2023-03-16

Update to 2.2.0.

2023-01-20

Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild

2022-10-25

Rebuild with libxc 6.0.0 in rawhide.

2022-09-26

Update to 2.1.1.

2022-09-04

Update to 2.1.0.

2022-07-22

Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild

2022-06-14

Rebuilt for Python 3.11

2022-01-21

Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild

2021-12-25

Patch for libcint 5.1.x compatibility.

2021-12-08

Build against xcfun.

2021-11-26

Update to 2.0.1.

2021-07-23

Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild

2021-07-13

Properly set BLA_VENDOR to FlexiBLAS for cmake >= 3.19

2021-06-04

Rebuilt for Python 3.10