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دانلود نسخه باینری دانلود نسخه سورس

توضیحات

A multiconfigurational quantum chemistry software package

ویژگی	مقدار
سیستم عامل	Linux
توزیع	Fedora 38
مخزن	Fedora Everything x86_64
نام بسته	OpenMolcas
نام فایل بسته	OpenMolcas-23.02-1.fc38.x86_64.rpm
نسخه بسته	23.02
انتشار بسته	1.fc38
معماری بسته	x86_64
نگهدارنده	-
تاریخ ساخت	Wed 29 Mar 2023 05
هاست سازنده	buildvm-x86-11.iad2.fedoraproject.org
نوع بسته	.rpm
آدرس صفحه اصلی	https://gitlab.com/Molcas/OpenMolcas
مجوز	LGPLv2
حجم دانلود	16M
حجم نصب	59.180M

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-22.10-3.fc38.aarch64.rpm	22.10	aarch64	Fedora Everything
OpenMolcas-22.10-3.fc38.src.rpm	22.10	x86_64	Fedora Everything
OpenMolcas-22.10-3.fc38.x86_64.rpm	22.10	x86_64	Fedora Everything
OpenMolcas-23.02-1.fc38.aarch64.rpm	23.02	aarch64	Fedora Everything
OpenMolcas-23.02-1.fc38.src.rpm	23.02	x86_64	Fedora Everything
OpenMolcas-debuginfo-22.10-3.fc38.aarch64.rpm	22.10	aarch64	Fedora Everything
OpenMolcas-debuginfo-22.10-3.fc38.x86_64.rpm	22.10	x86_64	Fedora Everything
OpenMolcas-debuginfo-23.02-1.fc38.aarch64.rpm	23.02	aarch64	Fedora Everything
OpenMolcas-debuginfo-23.02-1.fc38.x86_64.rpm	23.02	x86_64	Fedora Everything
OpenMolcas-debugsource-22.10-3.fc38.aarch64.rpm	22.10	aarch64	Fedora Everything
OpenMolcas-debugsource-22.10-3.fc38.x86_64.rpm	22.10	x86_64	Fedora Everything
OpenMolcas-debugsource-23.02-1.fc38.aarch64.rpm	23.02	aarch64	Fedora Everything
OpenMolcas-debugsource-23.02-1.fc38.x86_64.rpm	23.02	x86_64	Fedora Everything

نیازمندی

مقدار	نام
-	/usr/bin/bash
-	/usr/bin/python3
-	CheMPS2
-	libalaska.so()(64bit)
-	libaverd.so()(64bit)
-	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)(64bit)
-	libc.so.6(GLIBC_2.3.3)(64bit)
-	libc.so.6(GLIBC_2.3.4)(64bit)
-	libc.so.6(GLIBC_2.33)(64bit)
-	libc.so.6(GLIBC_2.34)(64bit)
-	libc.so.6(GLIBC_2.4)(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_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_2.2.5)(64bit)
-	libm.so.6(GLIBC_2.29)(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
= 23.02-1.fc38	OpenMolcas
= 23.02-1.fc38	OpenMolcas(x86-64)
-	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-23.02-1.fc38.x86_64.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/00/3fa18600c9dd193fbc7f4f82a3916dbf94f76c
/usr/lib/.build-id/01
/usr/lib/.build-id/01/954ff5fc8858f9034d8f108c324d98408bd60c
/usr/lib/.build-id/06
/usr/lib/.build-id/06/6eae0e07097a79d2591ff863917479a3fd333c
/usr/lib/.build-id/06/d849ecab8df9c1200dc1537cfe3d6e14f55731
/usr/lib/.build-id/06/f71883e4eb61a4e25ab4c95f7de8ecb4092d58
/usr/lib/.build-id/0a
/usr/lib/.build-id/0a/02c5bdd833af9b128ca031ca3a872713c2ab39
/usr/lib/.build-id/0e
/usr/lib/.build-id/0e/8a23ad70a73256af51ee121a4939098d3bc202
/usr/lib/.build-id/0e/ac997d28c029b19b60a16b5ced102b8f111519
/usr/lib/.build-id/12
/usr/lib/.build-id/12/08909256e1827be493ad35f43a4e7204df85c6
/usr/lib/.build-id/18
/usr/lib/.build-id/18/d782246c4d0c743bc5fbe301d5226089ff0d7c
/usr/lib/.build-id/1a
/usr/lib/.build-id/1a/a5879d44b436277ef7cb93b970d3c3f65ba822
/usr/lib/.build-id/1e
/usr/lib/.build-id/1e/d0a113f7bfd19dd588a5cb93c5bf13858ac090
/usr/lib/.build-id/22
/usr/lib/.build-id/22/195f4fb659df277929df62dcc135772380e528
/usr/lib/.build-id/28
/usr/lib/.build-id/28/b3c731b2eb548792697e0f88d54a3d54a502dd
/usr/lib/.build-id/31
/usr/lib/.build-id/31/5f010e452ddea11a9034016722e056d5c8a002
/usr/lib/.build-id/33
/usr/lib/.build-id/33/466ff5a53760315c4a619ba50afec484882403
/usr/lib/.build-id/3b
/usr/lib/.build-id/3b/b3616b5650fb96866b61dcb5d22d3bde6a21f6
/usr/lib/.build-id/3f
/usr/lib/.build-id/3f/9f0dc1baf07131a696c785aff3c0f918d921df
/usr/lib/.build-id/40
/usr/lib/.build-id/40/2793fb31d5ace51701f755a950dbe002400bb3
/usr/lib/.build-id/44
/usr/lib/.build-id/44/03706b74c23080286ac73c90d00600d955e0c3
/usr/lib/.build-id/44/18814f3c3456766a21f46b70013b3663acc1cb
/usr/lib/.build-id/45
/usr/lib/.build-id/45/2d11bb072a86a5b16a44c3c1cdcdc21e51648c
/usr/lib/.build-id/47
/usr/lib/.build-id/47/0ac060ae7d6f376fd15eba9342f6a78854de1c
/usr/lib/.build-id/49
/usr/lib/.build-id/49/e6077897c742963696670adc0c51f9b4f8a8f5
/usr/lib/.build-id/4a
/usr/lib/.build-id/4a/8a81a031fe6c5ebd47cd053e1e0a126d37117e
... and 417 more

گزارش تغییرات

تاریخ آخرین تغییر	جزئیات
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
2021-06-15	Update to release 21.06.
2021-05-06	Disable builds on 32-bit architectures by request of upstream. Update to release 21.02.