votca-xtp-common-1.6.4-1.el8 RPM for noarch

From EPEL 8 for s390x / Packages / v

Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
a package intended to reduce the amount of routine work when doing systematic
coarse-graining of various systems. The core is written in C++.

This package contains architecture independent data files for VOTCA XTP.

Provides

• votca-xtp-common

Requires

• /usr/libexec/platform-python
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsXz) <= 5.2-1

License

ASL 2.0

Changelog

* Tue Jan 12 2021 Christoph Junghans <junghans@lanl.gov> - 1.6.4-1
  - Version bump to v1.6.4 (bug #1915546)
* Thu Dec 10 2020 Christoph Junghans <junghans@votca.org> - 1.6.3-1
  - Version bump to 1.6.3 (bug #1905887)
* Sat Aug 22 2020 Christoph Junghans <junghans@votca.org> - 1.6.2-1
  - Version bump to v1.6.2 (bug #1871343)
* Tue Aug 04 2020 Christoph Junghans <junghans@votca.org> - 1.6.1-5
  - Fix out-of-source build on F33 (bug#1865611)
* Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.6.1-4
  - Second attempt - Rebuilt for
    https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
* Wed Jul 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.6.1-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
* Thu Jun 25 2020 Orion Poplawski <orion@cora.nwra.com> - 1.6.1-2
  - Rebuild for hdf5 1.10.6
* Sun Jun 21 2020 Christoph Junghans <junghans@votca.org> - 1.6.1-1
  - Version bump to v1.6.1
* Sat May 30 2020 Jonathan Wakely <jwakely@redhat.com> - 1.6-2
  - Rebuilt for Boost 1.73
* Sat Apr 18 2020 Christoph Junghans <junghans@votca.org> - 1.6-1
  - Version bump to v1.6 (bug #1825475)
  - Drop 381.patch - merged upstream
* Mon Feb 10 2020 Christoph Junghans <junghans@votca.org> - 1.6~rc2-1
  - Version bump to 1.6~rc2
  - Drop 345.patch & 347.patch - merged upstream
  - Add 381.patch to fix 32-bit build
* Fri Jan 31 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.6-0.3rc1
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
* Thu Dec 12 2019 Christoph Junghans <junghans@votca.org> - 1.6-0.2rc1
  - Added upstream 347.patch to fix 32bit builds
  - Added upstream 345.patch to fix failing tests
* Thu Dec 05 2019 Christoph Junghans <junghans@votca.org> - 1.6-0.1rc1
  - Version bump to 1.6_rc1 (bug #1779897)
* Fri Nov 22 2019 Christoph Junghans <junghans@votca.org> - 1.5.1-1
  - Version bump to 1.5.1 (bug #1774855)
* Sat Jul 27 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.5-1.3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Tue Mar 12 2019 Orion Poplawski <orion@nwra.com> - 1.5-1.2
  - Rebuild for hdf5 1.10.5
* Sun Feb 03 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.5-1.1
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Sat Feb 02 2019 Christoph Junghans <junghans@votca.org> - 1.5-1
  - Version bump to v1.5 (bug #1667602)
  - drop 55.patch, merged upstream
  - Fix FTBFS (bug #1606654)
* Sat Jul 14 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.4.1-1.3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
* Fri Feb 09 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.4.1-1.2
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
* Wed Jan 31 2018 Christoph Junghans <junghans@votca.org> - 1.4.1-1.1
  - Rebuilt for Boost 1.66
  - Add 55.patch
* Sun Sep 03 2017 Christoph Junghans <junghans@votca.org> - 1.4.1-1
  - Update to 1.4.1 (#1487881)
* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.4-2.4
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
* Thu Jul 27 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.4-2.3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
* Mon Jul 24 2017 Björn Esser <besser82@fedoraproject.org> - 1.4-2.2
  - Rebuilt for Boost 1.64
* Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.4-2.1
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild
* Tue Feb 07 2017 Kalev Lember <klember@redhat.com> - 1.4-2
  - Rebuilt for Boost 1.63
* Sun Oct 30 2016 Christoph Junghans <junghans@votca.org> - 1.4-1
  - Update to 1.4
* Mon Oct 03 2016 Christoph Junghans <junghans@votca.org> - 1.4-0.2rc1
  - Changes from review (bug #1380540)
* Wed Sep 28 2016 Christoph Junghans <junghans@votca.org> - 1.4-0.1rc1
  - Imported 1.4_rc1

Files

/usr/share/licenses/votca-xtp-common
/usr/share/licenses/votca-xtp-common/LICENSE.md
/usr/share/votca/xtp
/usr/share/votca/xtp/basis_sets
/usr/share/votca/xtp/basis_sets/3-21G.xml
/usr/share/votca/xtp/basis_sets/6-311++G(2p,2d).xml
/usr/share/votca/xtp/basis_sets/6-311++G.xml
/usr/share/votca/xtp/basis_sets/6-311+G(2d,p).xml
/usr/share/votca/xtp/basis_sets/6-311+G**.xml
/usr/share/votca/xtp/basis_sets/6-311G.xml
/usr/share/votca/xtp/basis_sets/6-31G**.xml
/usr/share/votca/xtp/basis_sets/6-31G.xml
/usr/share/votca/xtp/basis_sets/Weigend_coulomb_fitting.xml
/usr/share/votca/xtp/basis_sets/ahlrichs_coulomb_fitting.xml
/usr/share/votca/xtp/basis_sets/aug-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/aug-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/aug-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/aux-aug-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/aux-aug-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/aux-aug-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pv5z.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/aux-def2-qzvp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-qzvpp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-qzvppd.xml
/usr/share/votca/xtp/basis_sets/aux-def2-sv(p).xml
/usr/share/votca/xtp/basis_sets/aux-def2-svp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-svpd.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvpd.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvpp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvppd.xml
/usr/share/votca/xtp/basis_sets/aux-ubecppol.xml
/usr/share/votca/xtp/basis_sets/aux-ubecppol_0.2.xml
/usr/share/votca/xtp/basis_sets/cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/def2-qzvp.xml
/usr/share/votca/xtp/basis_sets/def2-qzvpd.xml
/usr/share/votca/xtp/basis_sets/def2-qzvpp.xml
/usr/share/votca/xtp/basis_sets/def2-qzvppd.xml
/usr/share/votca/xtp/basis_sets/def2-sv(p).xml
/usr/share/votca/xtp/basis_sets/def2-svp.xml
/usr/share/votca/xtp/basis_sets/def2-svpd.xml
/usr/share/votca/xtp/basis_sets/def2-tzvp.xml
/usr/share/votca/xtp/basis_sets/def2-tzvpd.xml
/usr/share/votca/xtp/basis_sets/def2-tzvpp.xml
/usr/share/votca/xtp/basis_sets/def2-tzvppd.xml
/usr/share/votca/xtp/basis_sets/optaux-aug-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/optaux-aug-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/optaux-aug-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/ubecp.xml
/usr/share/votca/xtp/basis_sets/ubecppol.xml
/usr/share/votca/xtp/basis_sets/ubecppoldiff.xml
/usr/share/votca/xtp/basis_sets/ubecppoldiff_s.xml
/usr/share/votca/xtp/benchmark
/usr/share/votca/xtp/benchmark/CTestTestfile.cmake
/usr/share/votca/xtp/benchmark/Geometries_ThielSet
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/imidazole.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/naphthalene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrrole.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/adenine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/cytosine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/thymine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/uracil.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz
/usr/share/votca/xtp/benchmark/Makefile
/usr/share/votca/xtp/benchmark/cmake_install.cmake
/usr/share/votca/xtp/benchmark/dftgwbse.xml
/usr/share/votca/xtp/benchmark/gwbse.xml
/usr/share/votca/xtp/benchmark/xtp_benchmark
/usr/share/votca/xtp/benchmark/xtp_benchmark.out
/usr/share/votca/xtp/benchmark/xtpdft.xml
/usr/share/votca/xtp/ecps
/usr/share/votca/xtp/ecps/CRENBL_ECP.xml
/usr/share/votca/xtp/ecps/ECP2SDF.xml
/usr/share/votca/xtp/ecps/SBKJC_ECP.xml
/usr/share/votca/xtp/ecps/corelevels.xml
/usr/share/votca/xtp/ecps/ecp.xml
/usr/share/votca/xtp/packages
/usr/share/votca/xtp/packages/bsecoupling.xml
/usr/share/votca/xtp/packages/esp2multipole.xml
/usr/share/votca/xtp/packages/gaussian.xml
/usr/share/votca/xtp/packages/gaussian_iqm_pair.xml
/usr/share/votca/xtp/packages/gwbse.xml
/usr/share/votca/xtp/packages/gwbse_iqm_pair.xml
/usr/share/votca/xtp/packages/nwchem.xml
/usr/share/votca/xtp/packages/orca.xml
/usr/share/votca/xtp/packages/orca_iqm_pair.xml
/usr/share/votca/xtp/packages/polar.xml
/usr/share/votca/xtp/packages/xtpdft.xml
/usr/share/votca/xtp/xml
/usr/share/votca/xtp/xml/apdft.xml
/usr/share/votca/xtp/xml/coupling.xml
/usr/share/votca/xtp/xml/dftgwbse.xml
/usr/share/votca/xtp/xml/eanalyze.xml
/usr/share/votca/xtp/xml/einternal.xml
/usr/share/votca/xtp/xml/eqm.xml
/usr/share/votca/xtp/xml/excitoncoupling.xml
/usr/share/votca/xtp/xml/gencube.xml
/usr/share/votca/xtp/xml/ianalyze.xml
/usr/share/votca/xtp/xml/iexcitoncl.xml
/usr/share/votca/xtp/xml/iimport.xml
/usr/share/votca/xtp/xml/iqm.xml
/usr/share/votca/xtp/xml/kmclifetime.xml
/usr/share/votca/xtp/xml/kmcmultiple.xml
/usr/share/votca/xtp/xml/log2mps.xml
/usr/share/votca/xtp/xml/map.xml
/usr/share/votca/xtp/xml/mapchecker.xml
/usr/share/votca/xtp/xml/molpol.xml
/usr/share/votca/xtp/xml/neighborlist.xml
/usr/share/votca/xtp/xml/options.xml
/usr/share/votca/xtp/xml/partialcharges.xml
/usr/share/votca/xtp/xml/qmmm.xml
/usr/share/votca/xtp/xml/sandbox.xml
/usr/share/votca/xtp/xml/spectrum.xml
/usr/share/votca/xtp/xml/vaverage.xml

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Fabrice Bellet, Fri Nov 15 08:11:07 2024