OpenMolcas-24.10-1.fc41 in Fedora 41
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Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2024-10-15 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 24.10-1 | - Update to 24.10. |
| 2024-09-02 | Miroslav Suchý <msuchy at redhat dot com> - 24.06-3 | - convert license to SPDX |
| 2024-07-17 | Fedora Release Engineering <releng at fedoraproject dot org> - 24.06-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-06-15 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 24.06-1 | - Update to 24.06. |
| 2024-02-15 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 24.02-1 | - Update to 24.02. |
| 2024-01-22 | Fedora Release Engineering <releng at fedoraproject dot org> - 23.10-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2024-01-19 | Fedora Release Engineering <releng at fedoraproject dot org> - 23.10-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2023-10-16 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 23.10-1 | - Update to release 23.10. |
| 2023-07-19 | Fedora Release Engineering <releng at fedoraproject dot org> - 23.06-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild |
| 2023-06-15 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 23.06-1 | - Update to release 23.06. |
Dependencies
Provides
- OpenMolcas
- 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)
Files
- etc/
- profile.d/
- OpenMolcas.csh
- OpenMolcas.sh
- profile.d/
- usr/
- bin/
- pymolcas
- lib/
- .build-id/
- 00/
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- 00/
- .build-id/
- lib64/
- OpenMolcas/
- .molcashome
- .molcasversion
- CONTRIBUTORS.md
- LICENSE
- basis_library/
- 3-21G
- 4-31G
- 5-21G
- 6-311Gpp
- 6-31G
- 6-31Gpp
- AHLRICHS_VDZ
- AHLRICHS_VTZ
- AIMP.README
- ANO-DK3
- ANO-L
- ANO-ORCA
- ANO-R
- ANO-RCC
- ANO-RCC.README
- ANO-S
- ANO-XS
- AUG-CC-PV5Z
- AUG-CC-PV6Z
- AUG-CC-PVDZ
- AUG-CC-PVQZ
- AUG-CC-PVTZ
- AUG-PC-0
- AUG-PC-1
- AUG-PC-2
- AUG-PC-3
- AUG-PC-4
- CC-PV5Z
- CC-PV5Z-DK
- CC-PVDZ
- CC-PVDZ-DK
- CC-PVQZ
- CC-PVQZ-DK
- CC-PVTZ
- CC-PVTZ-DK
- CC-PWCV5Z-DK
- CC-PWCVQZ-DK
- CC-PWCVTZ-DK
- CG-AIMP
- DEF-SV-P
- DEF-SVP
- DEF-TZVP
- DEF2-SVP
- DEF2-TZVP
- DEF2-TZVPP
- EMB-AIMP
- JGAUSS-DZP
- LANL2DZ
- LANL2DZ_NL
- MCP-AQZP
- MCP-ATZP
- MCP-DZP
- MCP-QZP
- MCP-TZP
- MUONIC
- NP-AIMP
- NR-AIMP
- PC-0
- PC-1
- PC-2
- PC-3
- PC-4
- QRPLIB
- RAF-R
- RYDBERG
- SADLEJ_PVTZ
- SARC2-QZVP-DKH2
- STO-3G
- STUTTGART
- STUTTGART_NL
- basis.tbl
- basistype.tbl
- c_Basis/
- DEF-SV-P
- DEF-SVP
- DEF-TZVP
- basis.tbl
- basistype.tbl
- trans.tbl
- j_Basis/
- DEF-SV-P
- DEF-SVP
- DEF-TZVP
- basis.tbl
- basistype.tbl
- trans.tbl
- jk_Basis/
- CC-PVTZ
- DEF-SV-P
- DEF-SVP
- basis.tbl
- basistype.tbl
- trans.tbl
- trans.tbl
- bin/
- alaska.exe
- averd.exe
- caspt2.exe
- casvb.exe
- ccsdt.exe
- chcc.exe
- cht3.exe
- cpf.exe
- dynamix.exe
- espf.exe
- expbas.exe
- extf.exe
- false.exe
- ffpt.exe
- gateway.exe
- genano.exe
- grid_it.exe
- guessorb.exe
- guga.exe
- gugaci.exe
- gugadrt.exe
- last_energy.exe
- level.exe
- localisation.exe
- loprop.exe
- mbpt2.exe
- mckinley.exe
- mclr.exe
- mcpdft.exe
- motra.exe
- mpprop.exe
- mrci.exe
- mula.exe
- numerical_gradient.exe
- parnell.exe
- poly_aniso.exe
- qmstat.exe
- quater.exe
- rasscf.exe
- rassi.exe
- rhodyn.exe
- rpa.exe
- scf.exe
- seward.exe
- single_aniso.exe
- slapaf.exe
- surfacehop.exe
- vibrot.exe
- data/
- MolGUI.prgm
- abdata
- alaska.prgm
- averd.prgm
- banner.txt
- caspt2.prgm
- casvb.prgm
- ccsdt.prgm
- chcc.prgm
- check.prgm
- cht3.prgm
- cpf.prgm
- dmrgscf.prgm
- dynamix.prgm
- espf.prgm
- expbas.prgm
- extf.prgm
- false.prgm
- ffpt.prgm
- functionals.txt
- gateway.prgm
- genano.prgm
- global.prgm
- grid_it.prgm
- guessorb.prgm
- guga.prgm
- gugaci.prgm
- gugadrt.prgm
- info.txt
- inporb_files.prgm
- inputs.tpl
- isotope_data.txt
- keyword.db
- keyword.xml
- landing.txt
- last_energy.prgm
- level.prgm
- localisation.prgm
- loprop.prgm
- mbpt2.prgm
- mckinley.prgm
- mclr.prgm
- mcpdft.prgm
- modalias.txt
- motra.prgm
- mpprop.prgm
- mpssi.prgm
- mrci.prgm
- mula.prgm
- nevpt2.prgm
- numerical_gradient.prgm
- poly_aniso.prgm
- qmstat.prgm
- quater.prgm
- rasscf.prgm
- rassi.prgm
- rcodes.txt
- rhodyn.prgm
- rpa.prgm
- rysrw
- scf.prgm
- seward.prgm
- single_aniso.prgm
- slapaf.prgm
- surfacehop.prgm
- symmetrize.prgm
- vibrot.prgm
- wfa.prgm
- doc/
- lib/
- libalaska.so
- libaverd.so
- libcaspt2.so
- libcasvb.so
- libccsdt.so
- libchcc.so
- libcht3.so
- libcpf.so
- libdynamix.so
- libexpbas.so
- libextf.so
- libfalse.so
- libffpt.so
- libgateway.so
- libgenano.so
- libgrid_it.so
- libguessorb.so
- libguga.so
- libgugaci.so
- libgugadrt.so
- liblast_energy.so
- liblevel.so
- liblocalisation.so
- libloprop.so
- libmbpt2.so
- libmckinley.so
- libmclr.so
- libmcpdft.so
- libmolcas.so
- libmotra.so
- libmpprop.so
- libmrci.so
- libmula.so
- libnumerical_gradient.so
- libpoly_aniso.so
- libqmstat.so
- libquater.so
- librasscf.so
- librassi.so
- librhodyn.so
- librpa.so
- libscf.so
- libseward.so
- libsingle_aniso.so
- libslapaf.so
- libsurfacehop.so
- libvibrot.so
- molcas.rte
- pymolcas
- python/
- abstract_flow.py
- check_test.py
- emil_grammar.py
- emil_parse.py
- export.py
- imports.py
- molcas_aux.py
- molcas_wrapper.py
- pack.py
- python_parse.py
- simpleeval.py
- tee.py
- validate.py
- sbin/
- help_basis
- help_doc
- help_func
- setup
- version
- OpenMolcas/
- share/
- doc/
- OpenMolcas/
- CONTRIBUTORS.md
- OpenMolcas/
- licenses/
- OpenMolcas/
- LICENSE
- OpenMolcas/
- doc/
- bin/
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