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OpenMolcas-23.06-2.fc39.aarch64.rpm

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توضیحات

A multiconfigurational quantum chemistry software package
ویژگی مقدار
سیستم عامل Linux
توزیع Fedora 39
مخزن Fedora Everything aarch64
نام بسته OpenMolcas
نام فایل بسته OpenMolcas-23.06-2.fc39.aarch64.rpm
نسخه بسته 23.06
انتشار بسته 2.fc39
معماری بسته aarch64
نگهدارنده -
تاریخ ساخت Wed 19 Jul 2023 03
هاست سازنده buildhw-a64-23.iad2.fedoraproject.org
نوع بسته .rpm
آدرس صفحه اصلی https://gitlab.com/Molcas/OpenMolcas
مجوز LGPLv2
حجم دانلود 16M
حجم نصب 69.303M
OpenMolcas is a quantum chemistry software package developed by scientists and intended to be used by scientists. It includes programs to apply many different electronic structure methods to chemical systems, but its key feature is the multiconfigurational approach, with methods like CASSCF and CASPT2. OpenMolcas is not a fork or reimplementation of Molcas, it is a large part of the Molcas codebase that has been released as free and open-source software (FOSS) under the Lesser GNU Public License (LGPL). Some parts of Molcas remain under a different license by decision of their authors (or impossibility to reach them), and are therefore not included in OpenMolcas.


جایگزین ها

بسته نسخه معماری مخزن
OpenMolcas-23.06-2.fc39.src.rpm 23.06 x86_64 Fedora Everything
OpenMolcas-23.06-2.fc39.x86_64.rpm 23.06 x86_64 Fedora Everything
OpenMolcas-23.10-1.fc39.aarch64.rpm 23.10 aarch64 Fedora Everything
OpenMolcas-23.10-1.fc39.src.rpm 23.10 x86_64 Fedora Everything
OpenMolcas-23.10-1.fc39.x86_64.rpm 23.10 x86_64 Fedora Everything
OpenMolcas-debuginfo-23.06-2.fc39.aarch64.rpm 23.06 aarch64 Fedora Everything
OpenMolcas-debuginfo-23.06-2.fc39.x86_64.rpm 23.06 x86_64 Fedora Everything
OpenMolcas-debuginfo-23.10-1.fc39.aarch64.rpm 23.10 aarch64 Fedora Everything
OpenMolcas-debuginfo-23.10-1.fc39.x86_64.rpm 23.10 x86_64 Fedora Everything
OpenMolcas-debugsource-23.06-2.fc39.aarch64.rpm 23.06 aarch64 Fedora Everything
OpenMolcas-debugsource-23.06-2.fc39.x86_64.rpm 23.06 x86_64 Fedora Everything
OpenMolcas-debugsource-23.10-1.fc39.aarch64.rpm 23.10 aarch64 Fedora Everything
OpenMolcas-debugsource-23.10-1.fc39.x86_64.rpm 23.10 x86_64 Fedora Everything


نیازمندی

مقدار نام
- /usr/bin/bash
- /usr/bin/python3
- CheMPS2
>= 2.37.9000-17 glibc
- ld-linux-aarch64.so.1()(64bit)
- ld-linux-aarch64.so.1(GLIBC_2.17)(64bit)
- libalaska.so()(64bit)
- libaverd.so()(64bit)
- libc.so.6()(64bit)
- libc.so.6(GLIBC_2.17)(64bit)
- libc.so.6(GLIBC_2.33)(64bit)
- libc.so.6(GLIBC_2.34)(64bit)
- libcaspt2.so()(64bit)
- libcasvb.so()(64bit)
- libccsdt.so()(64bit)
- libchcc.so()(64bit)
- libcht3.so()(64bit)
- libcpf.so()(64bit)
- libdynamix.so()(64bit)
- libexpbas.so()(64bit)
- libextf.so()(64bit)
- libfalse.so()(64bit)
- libffpt.so()(64bit)
- libflexiblas64.so.3()(64bit)
- libgateway.so()(64bit)
- libgcc_s.so.1()(64bit)
- libgcc_s.so.1(GCC_3.0)(64bit)
- libgcc_s.so.1(GCC_4.0.0)(64bit)
- libgenano.so()(64bit)
- libgfortran.so.5()(64bit)
- libgfortran.so.5(GFORTRAN_10)(64bit)
- libgfortran.so.5(GFORTRAN_8)(64bit)
- libgomp.so.1()(64bit)
- libgomp.so.1(OMP_1.0)(64bit)
- libgomp.so.1(OMP_3.0)(64bit)
- libgrid_it.so()(64bit)
- libguessorb.so()(64bit)
- libguga.so()(64bit)
- libgugaci.so()(64bit)
- libgugadrt.so()(64bit)
- libhdf5.so.200()(64bit)
- liblast_energy.so()(64bit)
- liblevel.so()(64bit)
- liblocalisation.so()(64bit)
- libloprop.so()(64bit)
- libm.so.6()(64bit)
- libm.so.6(GLIBC_2.17)(64bit)
- libm.so.6(GLIBC_2.29)(64bit)
- libm.so.6(GLIBC_2.38)(64bit)
- libmbpt2.so()(64bit)
- libmckinley.so()(64bit)
- libmclr.so()(64bit)
- libmcpdft.so()(64bit)
- libmolcas.so()(64bit)
- libmotra.so()(64bit)
- libmpprop.so()(64bit)
- libmrci.so()(64bit)
- libmula.so()(64bit)
- libnumerical_gradient.so()(64bit)
- libpoly_aniso.so()(64bit)
- libqmstat.so()(64bit)
- libquater.so()(64bit)
- librasscf.so()(64bit)
- librassi.so()(64bit)
- librhodyn.so()(64bit)
- librpa.so()(64bit)
- libscf.so()(64bit)
- libseward.so()(64bit)
- libsingle_aniso.so()(64bit)
- libslapaf.so()(64bit)
- libsurfacehop.so()(64bit)
- libvibrot.so()(64bit)
- libxcf03.so.12()(64bit)
- python3-pyparsing
- python3-setuptools
- rtld(GNU_HASH)


ارائه دهنده

مقدار نام
= 23.06-2.fc39 OpenMolcas
= 23.06-2.fc39 OpenMolcas(aarch-64)
- libalaska.so()(64bit)
- libaverd.so()(64bit)
- libcaspt2.so()(64bit)
- libcasvb.so()(64bit)
- libccsdt.so()(64bit)
- libchcc.so()(64bit)
- libcht3.so()(64bit)
- libcpf.so()(64bit)
- libdynamix.so()(64bit)
- libexpbas.so()(64bit)
- libextf.so()(64bit)
- libfalse.so()(64bit)
- libffpt.so()(64bit)
- libgateway.so()(64bit)
- libgenano.so()(64bit)
- libgrid_it.so()(64bit)
- libguessorb.so()(64bit)
- libguga.so()(64bit)
- libgugaci.so()(64bit)
- libgugadrt.so()(64bit)
- liblast_energy.so()(64bit)
- liblevel.so()(64bit)
- liblocalisation.so()(64bit)
- libloprop.so()(64bit)
- libmbpt2.so()(64bit)
- libmckinley.so()(64bit)
- libmclr.so()(64bit)
- libmcpdft.so()(64bit)
- libmolcas.so()(64bit)
- libmotra.so()(64bit)
- libmpprop.so()(64bit)
- libmrci.so()(64bit)
- libmula.so()(64bit)
- libnumerical_gradient.so()(64bit)
- libpoly_aniso.so()(64bit)
- libqmstat.so()(64bit)
- libquater.so()(64bit)
- librasscf.so()(64bit)
- librassi.so()(64bit)
- librhodyn.so()(64bit)
- librpa.so()(64bit)
- libscf.so()(64bit)
- libseward.so()(64bit)
- libsingle_aniso.so()(64bit)
- libslapaf.so()(64bit)
- libsurfacehop.so()(64bit)
- libvibrot.so()(64bit)


نحوه نصب


نصب پکیج rpm OpenMolcas:

    dnf install OpenMolcas-23.06-2.fc39.aarch64.rpm


فایل ها

مسیرها
/etc/profile.d/OpenMolcas.csh
/etc/profile.d/OpenMolcas.sh
/usr/bin/pymolcas
/usr/lib/.build-id
/usr/lib/.build-id/00
/usr/lib/.build-id/00/6c9cd4e042afc662205bd7eab8664b7ba41cc1
/usr/lib/.build-id/05
/usr/lib/.build-id/05/33a4f45470211b7c49773e04d75939fb0f7e3b
/usr/lib/.build-id/07
/usr/lib/.build-id/07/7da20f11890d7d7eea519bbb93685c223fe8d0
/usr/lib/.build-id/07/b4def80781df2aaa8b84910194b5dc63d8750c
/usr/lib/.build-id/09
/usr/lib/.build-id/09/0f817d5dbf6e968496ddf46edfd7c90ed70455
/usr/lib/.build-id/0a
/usr/lib/.build-id/0a/17cc9a4683305e52df81c62b1ea222d6ae0187
/usr/lib/.build-id/0a/9db6bc82e3f5d344e7320c6aed1d94271aa196
/usr/lib/.build-id/13
/usr/lib/.build-id/13/90790f0134d1b0a150fe96329aa4739ed65a95
/usr/lib/.build-id/1d
/usr/lib/.build-id/1d/66ffc0df44f87429457b996a5b321eb276d97b
/usr/lib/.build-id/1e
/usr/lib/.build-id/1e/b34e3a2d384e0c866ff61766f75d19b2892b98
/usr/lib/.build-id/21
/usr/lib/.build-id/21/8ab463754b22f70243b1a1f6dfa8c320363499
/usr/lib/.build-id/26
/usr/lib/.build-id/26/cebdb71cd508dc2d8d703ade52e2cd57f35875
/usr/lib/.build-id/28
/usr/lib/.build-id/28/ea4ed07aec345d9411045310a5125288f58a98
/usr/lib/.build-id/29
/usr/lib/.build-id/29/31a2d742fe405637da6872edfc7797e546b506
/usr/lib/.build-id/2d
/usr/lib/.build-id/2d/30c50a638415b74072c1355e9c3a1c6d9a55ba
/usr/lib/.build-id/2d/d9f1380f2d999083b76f2bfc6b52113f2e69d6
/usr/lib/.build-id/30
/usr/lib/.build-id/30/2567a37e51d61c4b8246ebe530d4c4b8dee4a0
/usr/lib/.build-id/3a
/usr/lib/.build-id/3a/744d041ad1a6fd4415365e3175da51cd2f2b07
/usr/lib/.build-id/3b
/usr/lib/.build-id/3b/4d25009881da4482a6c0e4327972b62bf8aeca
/usr/lib/.build-id/40
/usr/lib/.build-id/40/eca9816a5797a8c3cf124fa209d64677f3d193
/usr/lib/.build-id/43
/usr/lib/.build-id/43/d2bbc104309c5dbf7e7a783278a0e62b015d70
/usr/lib/.build-id/44
/usr/lib/.build-id/44/f8699b27519f920cfa38f8e36345c81225191b
/usr/lib/.build-id/46
/usr/lib/.build-id/46/148711da9fb97157991a051fcf124572fdab1e
/usr/lib/.build-id/46/c896428ce973f0294419a433e02f398d1e0d01
/usr/lib/.build-id/4b
/usr/lib/.build-id/4b/9f8cf42021e5454ab85c5dc46f0e3c75040ef7
... and 422 more


گزارش تغییرات

تاریخ آخرین تغییر جزئیات
2023-07-19

Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild

2023-06-15

Update to release 23.06.

2023-03-15

Update to release 23.02.

2023-01-18

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

2022-10-25

Bump for libxc rebuild.

2022-10-15

Update to release 22.10.

2022-07-20

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

2022-07-19

Rebuilt for pyparsing-3.0.9

2022-06-15

Update to release 22.06.

2022-02-15

Update to release 22.02, including libxc support.
Also enabled HDF5 and CheMPS2 support.

2022-01-19

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

2021-11-26

Update to release 21.10.

2021-07-21

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