OpenMolcas-19.11-1.el7 RPM for x86_64

From EPEL 7 for x86_64 / Packages / o

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.

Provides

• OpenMolcas
• OpenMolcas(x86-64)
• libmolcas.so()(64bit)

Requires

• /usr/bin/env
• /usr/bin/python2
• 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_2.4)(64bit)
• libgcc_s.so.1()(64bit)
• libgfortran.so.3()(64bit)
• libgfortran.so.3(GFORTRAN_1.0)(64bit)
• libgfortran.so.3(GFORTRAN_1.4)(64bit)
• libgfortran.so.3(GFORTRAN_1.5)(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libgomp.so.1(OMP_3.0)(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2.5)(64bit)
• libmolcas.so()(64bit)
• libopenblaso64.so.0()(64bit)
• libpthread.so.0()(64bit)
• libpthread.so.0(GLIBC_2.2.5)(64bit)
• libquadmath.so.0()(64bit)
• pyparsing
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PartialHardlinkSets) <= 4.0.4-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rtld(GNU_HASH)
• rpmlib(PayloadIsXz) <= 5.2-1

License

LGPLv2

Changelog

* Tue Jan 14 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 19.11-1
  - Update to 19.11.
* Wed Jul 24 2019 Fedora Release Engineering <releng@fedoraproject.org> - 18.09-4
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 18.09-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Wed Jan 02 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.09-2
  - Fix python shebang.
* Wed Jan 02 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.09-1
  - Update to 18.09 stable release.
* Tue Sep 25 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.0-7.o180813.1752
  - Remove HDF5 support because upstream code is non-portable and too hard to fix.
* Tue Sep 18 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.0-6.o180813.1752
  - Fix pyparsing requirement on EPEL7.
* Wed Sep 12 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.0-5.o180813.1752
  - Add missing python modules and wrapper.
* Fri Aug 31 2018 Dave Love <loveshack@fedoraproject.org> - 18.0-4.o180813.1752
  - Fix build on EPEL
* Fri Aug 24 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.0-3.o180813.1752
  - Fix build on non-64-bit architectures.
* Fri Aug 24 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.0-2.o180813.1752
  - Review fixes.
* Thu Aug 16 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 18.0-1.o180813.1752
  - Initial release.

Files

/etc/profile.d/OpenMolcas.csh
/etc/profile.d/OpenMolcas.sh
/usr/bin/pymolcas
/usr/lib64/OpenMolcas
/usr/lib64/OpenMolcas/.molcashome
/usr/lib64/OpenMolcas/.molcasversion
/usr/lib64/OpenMolcas/CONTRIBUTORS.md
/usr/lib64/OpenMolcas/LICENSE
/usr/lib64/OpenMolcas/basis_library
/usr/lib64/OpenMolcas/basis_library/3-21G
/usr/lib64/OpenMolcas/basis_library/4-31G
/usr/lib64/OpenMolcas/basis_library/6-311Gpp
/usr/lib64/OpenMolcas/basis_library/6-31G
/usr/lib64/OpenMolcas/basis_library/6-31Gp
/usr/lib64/OpenMolcas/basis_library/6-31Gpp
/usr/lib64/OpenMolcas/basis_library/60-MWB-OPT
/usr/lib64/OpenMolcas/basis_library/ANO-DK3
/usr/lib64/OpenMolcas/basis_library/ANO-L
/usr/lib64/OpenMolcas/basis_library/ANO-MB
/usr/lib64/OpenMolcas/basis_library/ANO-ORCA
/usr/lib64/OpenMolcas/basis_library/ANO-RCC
/usr/lib64/OpenMolcas/basis_library/ANO-RCC.README
/usr/lib64/OpenMolcas/basis_library/ANO-S
/usr/lib64/OpenMolcas/basis_library/ANO-XS
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PV5Z
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PV6Z
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PVDZ
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PVQZ
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PVTZ
/usr/lib64/OpenMolcas/basis_library/AUG-PC-0
/usr/lib64/OpenMolcas/basis_library/AUG-PC-1
/usr/lib64/OpenMolcas/basis_library/AUG-PC-2
/usr/lib64/OpenMolcas/basis_library/AUG-PC-3
/usr/lib64/OpenMolcas/basis_library/AUG-PC-4
/usr/lib64/OpenMolcas/basis_library/CC-PV5Z
/usr/lib64/OpenMolcas/basis_library/CC-PV5Z-DK
/usr/lib64/OpenMolcas/basis_library/CC-PVDZ
/usr/lib64/OpenMolcas/basis_library/CC-PVDZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PVQZ
/usr/lib64/OpenMolcas/basis_library/CC-PVQZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PVTZ
/usr/lib64/OpenMolcas/basis_library/CC-PVTZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PWCV5Z-DK
/usr/lib64/OpenMolcas/basis_library/CC-PWCVQZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PWCVTZ-DK
/usr/lib64/OpenMolcas/basis_library/DEF2-SVP
/usr/lib64/OpenMolcas/basis_library/DEF2-TZVP
/usr/lib64/OpenMolcas/basis_library/DEF2-TZVPP
/usr/lib64/OpenMolcas/basis_library/DZ
/usr/lib64/OpenMolcas/basis_library/DZP
/usr/lib64/OpenMolcas/basis_library/ECP
/usr/lib64/OpenMolcas/basis_library/ECP.DOLG
/usr/lib64/OpenMolcas/basis_library/ECP.EFT
/usr/lib64/OpenMolcas/basis_library/ECP.HAY-WADT
/usr/lib64/OpenMolcas/basis_library/ECP.HW
/usr/lib64/OpenMolcas/basis_library/ECP.PETERSON
/usr/lib64/OpenMolcas/basis_library/ECP.STOLL
/usr/lib64/OpenMolcas/basis_library/ECP.TOUL
/usr/lib64/OpenMolcas/basis_library/MG3S
/usr/lib64/OpenMolcas/basis_library/MUONIC
/usr/lib64/OpenMolcas/basis_library/NB
/usr/lib64/OpenMolcas/basis_library/PC-0
/usr/lib64/OpenMolcas/basis_library/PC-1
/usr/lib64/OpenMolcas/basis_library/PC-2
/usr/lib64/OpenMolcas/basis_library/PC-3
/usr/lib64/OpenMolcas/basis_library/PC-4
/usr/lib64/OpenMolcas/basis_library/POL
/usr/lib64/OpenMolcas/basis_library/QRPLIB
/usr/lib64/OpenMolcas/basis_library/RAF-R
/usr/lib64/OpenMolcas/basis_library/RYDBERG
/usr/lib64/OpenMolcas/basis_library/SARC2-QZVP-DKH
/usr/lib64/OpenMolcas/basis_library/STO-3G
/usr/lib64/OpenMolcas/basis_library/SVP
/usr/lib64/OpenMolcas/basis_library/TOULBAS
/usr/lib64/OpenMolcas/basis_library/TZ
/usr/lib64/OpenMolcas/basis_library/TZP
/usr/lib64/OpenMolcas/basis_library/TZVP
/usr/lib64/OpenMolcas/basis_library/basis.tbl
/usr/lib64/OpenMolcas/basis_library/basistype.tbl
/usr/lib64/OpenMolcas/basis_library/c_Basis
/usr/lib64/OpenMolcas/basis_library/c_Basis/DEF-SVP
/usr/lib64/OpenMolcas/basis_library/c_Basis/DEF-TZVP
/usr/lib64/OpenMolcas/basis_library/c_Basis/SVP
/usr/lib64/OpenMolcas/basis_library/c_Basis/TZVP
/usr/lib64/OpenMolcas/basis_library/c_Basis/basis.tbl
/usr/lib64/OpenMolcas/basis_library/j_Basis
/usr/lib64/OpenMolcas/basis_library/j_Basis/60-MWB-OPT
/usr/lib64/OpenMolcas/basis_library/j_Basis/DEF-SVP
/usr/lib64/OpenMolcas/basis_library/j_Basis/DEF-SV_P_
/usr/lib64/OpenMolcas/basis_library/j_Basis/SV
/usr/lib64/OpenMolcas/basis_library/j_Basis/SVP
/usr/lib64/OpenMolcas/basis_library/j_Basis/TZP
/usr/lib64/OpenMolcas/basis_library/j_Basis/TZVP
/usr/lib64/OpenMolcas/basis_library/j_Basis/basis.tbl
/usr/lib64/OpenMolcas/basis_library/j_Basis/basistype.tbl
/usr/lib64/OpenMolcas/basis_library/j_Basis/trans.tbl
/usr/lib64/OpenMolcas/basis_library/jk_Basis
/usr/lib64/OpenMolcas/basis_library/jk_Basis/CC-PVTZ
/usr/lib64/OpenMolcas/basis_library/trans.tbl
/usr/lib64/OpenMolcas/bin
/usr/lib64/OpenMolcas/bin/alaska.exe
/usr/lib64/OpenMolcas/bin/averd.exe
/usr/lib64/OpenMolcas/bin/caspt2.exe
/usr/lib64/OpenMolcas/bin/casvb.exe
/usr/lib64/OpenMolcas/bin/ccsdt.exe
/usr/lib64/OpenMolcas/bin/chcc.exe
/usr/lib64/OpenMolcas/bin/cht3.exe
/usr/lib64/OpenMolcas/bin/cpf.exe
/usr/lib64/OpenMolcas/bin/dynamix.exe
/usr/lib64/OpenMolcas/bin/espf.exe
/usr/lib64/OpenMolcas/bin/expbas.exe
/usr/lib64/OpenMolcas/bin/extf.exe
/usr/lib64/OpenMolcas/bin/ffpt.exe
/usr/lib64/OpenMolcas/bin/gateway.exe
/usr/lib64/OpenMolcas/bin/genano.exe
/usr/lib64/OpenMolcas/bin/guessorb.exe
/usr/lib64/OpenMolcas/bin/guga.exe
/usr/lib64/OpenMolcas/bin/gugaci.exe
/usr/lib64/OpenMolcas/bin/gugadrt.exe
/usr/lib64/OpenMolcas/bin/last_energy.exe
/usr/lib64/OpenMolcas/bin/localisation.exe
/usr/lib64/OpenMolcas/bin/loprop.exe
/usr/lib64/OpenMolcas/bin/mbpt2.exe
/usr/lib64/OpenMolcas/bin/mckinley.exe
/usr/lib64/OpenMolcas/bin/mclr.exe
/usr/lib64/OpenMolcas/bin/mcpdft.exe
/usr/lib64/OpenMolcas/bin/motra.exe
/usr/lib64/OpenMolcas/bin/mpprop.exe
/usr/lib64/OpenMolcas/bin/mrci.exe
/usr/lib64/OpenMolcas/bin/numerical_gradient.exe
/usr/lib64/OpenMolcas/bin/parnell.exe
/usr/lib64/OpenMolcas/bin/poly_aniso.exe
/usr/lib64/OpenMolcas/bin/qmstat.exe
/usr/lib64/OpenMolcas/bin/quater.exe
/usr/lib64/OpenMolcas/bin/rasscf.exe
/usr/lib64/OpenMolcas/bin/rassi.exe
/usr/lib64/OpenMolcas/bin/rpa.exe
/usr/lib64/OpenMolcas/bin/scf.exe
/usr/lib64/OpenMolcas/bin/seward.exe
/usr/lib64/OpenMolcas/bin/single_aniso.exe
/usr/lib64/OpenMolcas/bin/slapaf.exe
/usr/lib64/OpenMolcas/bin/surfacehop.exe
/usr/lib64/OpenMolcas/bin/vibrot.exe
/usr/lib64/OpenMolcas/data
/usr/lib64/OpenMolcas/data/MolGUI.prgm
/usr/lib64/OpenMolcas/data/abdata
/usr/lib64/OpenMolcas/data/alaska.prgm
/usr/lib64/OpenMolcas/data/averd.prgm
/usr/lib64/OpenMolcas/data/banner.txt
/usr/lib64/OpenMolcas/data/caspt2.prgm
/usr/lib64/OpenMolcas/data/casvb.prgm
/usr/lib64/OpenMolcas/data/ccsdt.prgm
/usr/lib64/OpenMolcas/data/chcc.prgm
/usr/lib64/OpenMolcas/data/check.prgm
/usr/lib64/OpenMolcas/data/cht3.prgm
/usr/lib64/OpenMolcas/data/cpf.prgm
/usr/lib64/OpenMolcas/data/dmrgscf.prgm
/usr/lib64/OpenMolcas/data/dynamix.prgm
/usr/lib64/OpenMolcas/data/espf.prgm
/usr/lib64/OpenMolcas/data/expbas.prgm
/usr/lib64/OpenMolcas/data/extf.prgm
/usr/lib64/OpenMolcas/data/ffpt.prgm
/usr/lib64/OpenMolcas/data/gateway.prgm
/usr/lib64/OpenMolcas/data/genano.prgm
/usr/lib64/OpenMolcas/data/global.prgm
/usr/lib64/OpenMolcas/data/guessorb.prgm
/usr/lib64/OpenMolcas/data/guga.prgm
/usr/lib64/OpenMolcas/data/gugaci.prgm
/usr/lib64/OpenMolcas/data/gugadrt.prgm
/usr/lib64/OpenMolcas/data/info.txt
/usr/lib64/OpenMolcas/data/inporb_files.prgm
/usr/lib64/OpenMolcas/data/inputs.tpl
/usr/lib64/OpenMolcas/data/keyword.db
/usr/lib64/OpenMolcas/data/keyword.xml
/usr/lib64/OpenMolcas/data/last_energy.prgm
/usr/lib64/OpenMolcas/data/localisation.prgm
/usr/lib64/OpenMolcas/data/loprop.prgm
/usr/lib64/OpenMolcas/data/mbpt2.prgm
/usr/lib64/OpenMolcas/data/mckinley.prgm
/usr/lib64/OpenMolcas/data/mclr.prgm
/usr/lib64/OpenMolcas/data/mcpdft.prgm
/usr/lib64/OpenMolcas/data/modalias.txt
/usr/lib64/OpenMolcas/data/motra.prgm
/usr/lib64/OpenMolcas/data/mpprop.prgm
/usr/lib64/OpenMolcas/data/mpssi.prgm
/usr/lib64/OpenMolcas/data/mrci.prgm
/usr/lib64/OpenMolcas/data/nevpt2.prgm
/usr/lib64/OpenMolcas/data/numerical_gradient.prgm
/usr/lib64/OpenMolcas/data/poly_aniso.prgm
/usr/lib64/OpenMolcas/data/qmstat.prgm
/usr/lib64/OpenMolcas/data/quater.prgm
/usr/lib64/OpenMolcas/data/rasscf.prgm
/usr/lib64/OpenMolcas/data/rassi.prgm
/usr/lib64/OpenMolcas/data/rcodes.txt
/usr/lib64/OpenMolcas/data/rpa.prgm
/usr/lib64/OpenMolcas/data/rysrw
/usr/lib64/OpenMolcas/data/scf.prgm
/usr/lib64/OpenMolcas/data/seward.prgm
/usr/lib64/OpenMolcas/data/single_aniso.prgm
/usr/lib64/OpenMolcas/data/slapaf.prgm
/usr/lib64/OpenMolcas/data/surfacehop.prgm
/usr/lib64/OpenMolcas/data/symmetrize.prgm
/usr/lib64/OpenMolcas/data/vibrot.prgm
/usr/lib64/OpenMolcas/data/wfa.prgm
/usr/lib64/OpenMolcas/doc
/usr/lib64/OpenMolcas/lib
/usr/lib64/OpenMolcas/lib/libmolcas.so
/usr/lib64/OpenMolcas/molcas.rte
/usr/lib64/OpenMolcas/python
/usr/lib64/OpenMolcas/python/abstract_flow.py
/usr/lib64/OpenMolcas/python/abstract_flow.pyc
/usr/lib64/OpenMolcas/python/abstract_flow.pyo
/usr/lib64/OpenMolcas/python/check_test.py
/usr/lib64/OpenMolcas/python/check_test.pyc
/usr/lib64/OpenMolcas/python/check_test.pyo
/usr/lib64/OpenMolcas/python/emil_grammar.py
/usr/lib64/OpenMolcas/python/emil_grammar.pyc
/usr/lib64/OpenMolcas/python/emil_grammar.pyo
/usr/lib64/OpenMolcas/python/emil_parse.py
/usr/lib64/OpenMolcas/python/emil_parse.pyc
/usr/lib64/OpenMolcas/python/emil_parse.pyo
/usr/lib64/OpenMolcas/python/molcas_aux.py
/usr/lib64/OpenMolcas/python/molcas_aux.pyc
/usr/lib64/OpenMolcas/python/molcas_aux.pyo
/usr/lib64/OpenMolcas/python/molcas_wrapper.py
/usr/lib64/OpenMolcas/python/molcas_wrapper.pyc
/usr/lib64/OpenMolcas/python/molcas_wrapper.pyo
/usr/lib64/OpenMolcas/python/python_parse.py
/usr/lib64/OpenMolcas/python/python_parse.pyc
/usr/lib64/OpenMolcas/python/python_parse.pyo
/usr/lib64/OpenMolcas/python/simpleeval.py
/usr/lib64/OpenMolcas/python/simpleeval.pyc
/usr/lib64/OpenMolcas/python/simpleeval.pyo
/usr/lib64/OpenMolcas/python/tee.py
/usr/lib64/OpenMolcas/python/tee.pyc
/usr/lib64/OpenMolcas/python/tee.pyo
/usr/lib64/OpenMolcas/sbin
/usr/lib64/OpenMolcas/sbin/help_basis
/usr/lib64/OpenMolcas/sbin/help_doc
/usr/share/doc/OpenMolcas-19.11
/usr/share/doc/OpenMolcas-19.11/CONTRIBUTORS.md
/usr/share/licenses/OpenMolcas-19.11
/usr/share/licenses/OpenMolcas-19.11/LICENSE

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Fabrice Bellet, Tue Jul 9 13:11:04 2024