OpenMolcas-19.11-1.el7 in EPEL 7
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Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2020-01-14 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 19.11-1 | - Update to 19.11. |
| 2019-07-24 | Fedora Release Engineering <releng at fedoraproject dot org> - 18.09-4 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild |
| 2019-01-31 | Fedora Release Engineering <releng at fedoraproject dot org> - 18.09-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild |
| 2019-01-02 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 18.09-2 | - Fix python shebang. |
| 2019-01-02 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 18.09-1 | - Update to 18.09 stable release. |
| 2018-09-25 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 18.0-7.o180813.1752 | - Remove HDF5 support because upstream code is non-portable and too hard to fix. |
| 2018-09-18 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 18.0-6.o180813.1752 | - Fix pyparsing requirement on EPEL7. |
| 2018-09-12 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 18.0-5.o180813.1752 | - Add missing python modules and wrapper. |
| 2018-08-31 | Dave Love <loveshack at fedoraproject dot org> - 18.0-4.o180813.1752 | - Fix build on EPEL |
| 2018-08-24 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 18.0-3.o180813.1752 | - Fix build on non-64-bit architectures. |
Dependencies
Provides
- OpenMolcas
- OpenMolcas(x86-64)
- libmolcas.so()(64bit)
Files
- etc/
- profile.d/
- OpenMolcas.csh
- OpenMolcas.sh
- profile.d/
- usr/
- bin/
- pymolcas
- lib64/
- OpenMolcas/
- .molcashome
- .molcasversion
- CONTRIBUTORS.md
- LICENSE
- basis_library/
- 3-21G
- 4-31G
- 6-311Gpp
- 6-31G
- 6-31Gp
- 6-31Gpp
- 60-MWB-OPT
- ANO-DK3
- ANO-L
- ANO-MB
- ANO-ORCA
- 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
- DEF2-SVP
- DEF2-TZVP
- DEF2-TZVPP
- DZ
- DZP
- ECP
- ECP.DOLG
- ECP.EFT
- ECP.HAY-WADT
- ECP.HW
- ECP.PETERSON
- ECP.STOLL
- ECP.TOUL
- MG3S
- MUONIC
- NB
- PC-0
- PC-1
- PC-2
- PC-3
- PC-4
- POL
- QRPLIB
- RAF-R
- RYDBERG
- SARC2-QZVP-DKH
- STO-3G
- SVP
- TOULBAS
- TZ
- TZP
- TZVP
- basis.tbl
- basistype.tbl
- c_Basis/
- DEF-SVP
- DEF-TZVP
- SVP
- TZVP
- basis.tbl
- j_Basis/
- 60-MWB-OPT
- DEF-SVP
- DEF-SV_P_
- SV
- SVP
- TZP
- TZVP
- basis.tbl
- basistype.tbl
- trans.tbl
- jk_Basis/
- CC-PVTZ
- 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
- ffpt.exe
- gateway.exe
- genano.exe
- guessorb.exe
- guga.exe
- gugaci.exe
- gugadrt.exe
- last_energy.exe
- localisation.exe
- loprop.exe
- mbpt2.exe
- mckinley.exe
- mclr.exe
- mcpdft.exe
- motra.exe
- mpprop.exe
- mrci.exe
- numerical_gradient.exe
- parnell.exe
- poly_aniso.exe
- qmstat.exe
- quater.exe
- rasscf.exe
- rassi.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
- ffpt.prgm
- gateway.prgm
- genano.prgm
- global.prgm
- guessorb.prgm
- guga.prgm
- gugaci.prgm
- gugadrt.prgm
- info.txt
- inporb_files.prgm
- inputs.tpl
- keyword.db
- keyword.xml
- last_energy.prgm
- localisation.prgm
- loprop.prgm
- mbpt2.prgm
- mckinley.prgm
- mclr.prgm
- mcpdft.prgm
- modalias.txt
- motra.prgm
- mpprop.prgm
- mpssi.prgm
- mrci.prgm
- nevpt2.prgm
- numerical_gradient.prgm
- poly_aniso.prgm
- qmstat.prgm
- quater.prgm
- rasscf.prgm
- rassi.prgm
- rcodes.txt
- rpa.prgm
- rysrw
- scf.prgm
- seward.prgm
- single_aniso.prgm
- slapaf.prgm
- surfacehop.prgm
- symmetrize.prgm
- vibrot.prgm
- wfa.prgm
- doc/
- lib/
- libmolcas.so
- molcas.rte
- python/
- abstract_flow.py
- abstract_flow.pyc
- abstract_flow.pyo
- check_test.py
- check_test.pyc
- check_test.pyo
- emil_grammar.py
- emil_grammar.pyc
- emil_grammar.pyo
- emil_parse.py
- emil_parse.pyc
- emil_parse.pyo
- molcas_aux.py
- molcas_aux.pyc
- molcas_aux.pyo
- molcas_wrapper.py
- molcas_wrapper.pyc
- molcas_wrapper.pyo
- python_parse.py
- python_parse.pyc
- python_parse.pyo
- simpleeval.py
- simpleeval.pyc
- simpleeval.pyo
- tee.py
- tee.pyc
- tee.pyo
- sbin/
- help_basis
- help_doc
- OpenMolcas/
- share/
- doc/
- OpenMolcas-19.11/
- CONTRIBUTORS.md
- OpenMolcas-19.11/
- licenses/
- OpenMolcas-19.11/
- LICENSE
- OpenMolcas-19.11/
- doc/
- bin/
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