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psi4-1.3.2-17.fc37.x86_64.rpm

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توضیحات

An ab initio quantum chemistry package
ویژگی مقدار
سیستم عامل Linux
توزیع Fedora 37
مخزن Fedora Everything x86_64
نام بسته psi4
نام فایل بسته psi4-1.3.2-17.fc37.x86_64.rpm
نسخه بسته 1.3.2
انتشار بسته 17.fc37
معماری بسته x86_64
نگهدارنده -
تاریخ ساخت Wed 02 Nov 2022 03
هاست سازنده buildvm-x86-24.iad2.fedoraproject.org
نوع بسته .rpm
آدرس صفحه اصلی http://www.psicode.org/
مجوز LGPLv3 and MIT
حجم دانلود 8.2M
حجم نصب 28.075M
PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.


جایگزین ها

بسته نسخه معماری مخزن
psi4-1.3.2-14.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-1.3.2-14.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-1.3.2-14.fc37.src.rpm 1.3.2 i686 Fedora Everything
psi4-1.3.2-14.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything
psi4-1.3.2-17.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-1.3.2-17.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-1.3.2-17.fc37.src.rpm 1.3.2 i686 Fedora Everything
psi4-data-1.3.2-14.fc37.noarch.rpm 1.3.2 noarch Fedora Everything
psi4-data-1.3.2-17.fc37.noarch.rpm 1.3.2 noarch Fedora Everything
psi4-debuginfo-1.3.2-14.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-debuginfo-1.3.2-14.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-debuginfo-1.3.2-14.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything
psi4-debuginfo-1.3.2-17.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-debuginfo-1.3.2-17.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-debuginfo-1.3.2-17.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything
psi4-debugsource-1.3.2-14.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-debugsource-1.3.2-14.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-debugsource-1.3.2-14.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything
psi4-debugsource-1.3.2-17.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-debugsource-1.3.2-17.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-debugsource-1.3.2-17.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything
psi4-devel-1.3.2-14.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-devel-1.3.2-14.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-devel-1.3.2-14.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything
psi4-devel-1.3.2-17.fc37.aarch64.rpm 1.3.2 aarch64 Fedora Everything
psi4-devel-1.3.2-17.fc37.i686.rpm 1.3.2 i686 Fedora Everything
psi4-devel-1.3.2-17.fc37.x86_64.rpm 1.3.2 x86_64 Fedora Everything


نیازمندی

مقدار نام
- /usr/bin/python3
- 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_2.32)(64bit)
- libc.so.6(GLIBC_2.33)(64bit)
- libc.so.6(GLIBC_2.34)(64bit)
- libc.so.6(GLIBC_2.4)(64bit)
- libc.so.6(GLIBC_2.7)(64bit)
- libchemps2.so.3()(64bit)
- libderiv-stable.so.1()(64bit)
- libflexiblas.so.3()(64bit)
- libgcc_s.so.1()(64bit)
- libgcc_s.so.1(GCC_3.0)(64bit)
- libgcc_s.so.1(GCC_3.3.1)(64bit)
- libgg.so.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)
- libgomp.so.1(OMP_2.0)(64bit)
- libgomp.so.1(OMP_3.0)(64bit)
= 0 libint(api)(x86-64)
- libint-stable.so.1()(64bit)
- libm.so.6()(64bit)
- libm.so.6(GLIBC_2.2.5)(64bit)
- libm.so.6(GLIBC_2.29)(64bit)
- libstdc++.so.6()(64bit)
- libstdc++.so.6(CXXABI_1.3)(64bit)
- libstdc++.so.6(CXXABI_1.3.1)(64bit)
- libstdc++.so.6(CXXABI_1.3.13)(64bit)
- libstdc++.so.6(CXXABI_1.3.2)(64bit)
- libstdc++.so.6(CXXABI_1.3.3)(64bit)
- libstdc++.so.6(CXXABI_1.3.5)(64bit)
- libstdc++.so.6(CXXABI_1.3.8)(64bit)
- libstdc++.so.6(CXXABI_1.3.9)(64bit)
- libstdc++.so.6(GLIBCXX_3.4)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.11)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.14)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.15)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.18)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.19)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.20)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.21)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.22)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.26)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.29)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.30)(64bit)
- libstdc++.so.6(GLIBCXX_3.4.9)(64bit)
- libxc.so.9()(64bit)
= 1:1.3.2-17.fc37 psi4-data
= 3.11 python(abi)
- python3-deepdiff
- python3-numpy
- python3-pydantic
- python3-qcelemental
- rtld(GNU_HASH)


ارائه دهنده

مقدار نام
= 1:1.3.2-17.fc37 psi4
= 1:1.3.2-17.fc37 psi4(x86-64)


نحوه نصب


نصب پکیج rpm psi4:

    dnf install psi4-1.3.2-17.fc37.x86_64.rpm


فایل ها

مسیرها
/usr/bin/psi4
/usr/lib/.build-id
/usr/lib/.build-id/99
/usr/lib/.build-id/99/a912a601927915ed60fdee6394789006517577
/usr/lib64/python3.11/site-packages/psi4
/usr/lib64/python3.11/site-packages/psi4/__init__.py
/usr/lib64/python3.11/site-packages/psi4/__pycache__
/usr/lib64/python3.11/site-packages/psi4/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/__init__.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/extras.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/extras.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/header.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/header.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/metadata.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/__pycache__/metadata.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/core.so
/usr/lib64/python3.11/site-packages/psi4/driver
/usr/lib64/python3.11/site-packages/psi4/driver/__init__.py
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/__init__.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/aliases.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/aliases.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/dependency_check.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/dependency_check.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/diatomic.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/diatomic.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_cbs.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_cbs.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_findif.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_findif.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_nbody.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_nbody.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_nbody_helper.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_nbody_helper.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_util.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/driver_util.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/endorsed_plugins.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/endorsed_plugins.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/frac.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/frac.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/gaussian_n.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/gaussian_n.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/inputparser.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/inputparser.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/json_wrapper.cpython-311.opt-1.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/json_wrapper.cpython-311.pyc
/usr/lib64/python3.11/site-packages/psi4/driver/__pycache__/molutil.cpython-311.opt-1.pyc
... and 479 more


گزارش تغییرات

تاریخ آخرین تغییر جزئیات
2022-11-02

Fix build issue on rawhide.

2022-10-27

Rebuild for new libxc

2022-07-22

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

2022-01-21

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

2021-07-23

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

2021-07-13

Add a patch for native support of FlexiBLAS
Explicitly turn ENABLE_AUTO_LAPACK on

2021-06-04

Rebuilt for Python 3.10

2021-03-31

Make the psi4 Python module importable.
Remove rpath.

2021-01-27

Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild