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| Name: votca-common-xtp | Distribution: Fedora Project |
| Version: 2023~rc2 | Vendor: Fedora Project |
| Release: 1.fc39 | Build date: Thu Jul 27 21:35:16 2023 |
| Group: Unspecified | Build host: buildvm-x86-05.iad2.fedoraproject.org |
| Size: 11155488 | Source RPM: votca-2023~rc2-1.fc39.src.rpm |
| Packager: Fedora Project | |
| Url: http://www.votca.org | |
| Summary: Architecture independent data files for xtp parts of VOTCA | |
VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors. This package contains architecture independent data files for the xtp parts of the VOTCA package.
ASL 2.0
* Wed Jul 26 2023 Christoph Junghans <junghans@votca.org> - 2023~rc2-1 - Version bump to v2023-rc.2 * Sat Jul 22 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023~rc1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Mon Feb 20 2023 Jonathan Wakely <jwakely@redhat.com> - 2023~rc1-2 - Rebuilt for Boost 1.81 * Fri Feb 03 2023 Christoph Junghans <junghans@votca.org> - 2023-1 - Version bump to v2023-rc.1 (bug #2166654) * Sat Jan 21 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2022.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Wed Dec 21 2022 Christoph Junghans <junghans@votca.org> - 2022.1-1 - Version bump to v2022.1 * Tue Nov 29 2022 Christoph Junghans <junghans@votca.org> - 2022-11 - Rebuild for libxc again * Thu Oct 27 2022 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2022-10 - Rebuild for new libxc * Mon Oct 24 2022 Christoph Junghans <junghans@votca.org> - 2022-9 - Rebuild for libxc-6.0.0 * Mon Aug 08 2022 Christoph Junghans <junghans@votca.org> - 2022-8 - Fix build wtih espresso-4.2.0 * Sat Jul 23 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2022-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Wed May 04 2022 Thomas Rodgers <trodgers@redhat.com> - 2022-6 - Rebuilt for Boost 1.78 * Wed Apr 27 2022 Christoph Junghans <junghans@votca.org> - 2022-5 - Rebuild for gromacs-2022.1 * Sat Feb 05 2022 Christoph Junghans <junghans@votca.org> - 2022-4 - Rebuild for gromacs-2021 * Tue Feb 01 2022 Christoph Junghans <junghans@votca.org> - 2022-3 - Remove espressopp tutorial and hence py2 dep * Sat Jan 22 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2022-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Sun Jan 16 2022 Christoph Junghans <junghans@votca.org> - 2022-1 - Version bump to v2020 (bug #2041116) * Wed Dec 29 2021 Christoph Junghans <junghans@votca.org> - 2022~rc2-2 - Incorporated changes from package review (bug #2032487#c7) * Thu Dec 23 2021 Christoph Junghans <junghans@votca.org> - 2022~rc2-1 - initial import (bug #2032487)
/usr/share/licenses/votca-common-xtp /usr/share/licenses/votca-common-xtp/LICENSE /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-ecp.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-ecp.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-ecp.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-ecp.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/Geometries /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Anthracene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Benzene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Decacene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Heptacene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Hexacene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Naphthalene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Nonacene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Octacene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Pentacene.xyz /usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Tetracene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/imidazole.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/naphthalene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrrole.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/adenine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/cytosine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/thymine.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/uracil.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz /usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz /usr/share/votca/xtp/benchmark/xtp_benchmark /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/def2-ecp.xml /usr/share/votca/xtp/ecps/ecp.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/densityanalysis.xml /usr/share/votca/xtp/xml/dftgwbse.xml /usr/share/votca/xtp/xml/diabatization.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/gpu_benchmark.xml /usr/share/votca/xtp/xml/ianalyze.xml /usr/share/votca/xtp/xml/iexcitoncl.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/mapchecker.xml /usr/share/votca/xtp/xml/mol2orb.xml /usr/share/votca/xtp/xml/molpol.xml /usr/share/votca/xtp/xml/neighborlist.xml /usr/share/votca/xtp/xml/orb2fchk.xml /usr/share/votca/xtp/xml/orb2mol.xml /usr/share/votca/xtp/xml/partialcharges.xml /usr/share/votca/xtp/xml/qmmm.xml /usr/share/votca/xtp/xml/spectrum.xml /usr/share/votca/xtp/xml/subpackages /usr/share/votca/xtp/xml/subpackages/bsecoupling.xml /usr/share/votca/xtp/xml/subpackages/dftcoupling.xml /usr/share/votca/xtp/xml/subpackages/dftpackage.xml /usr/share/votca/xtp/xml/subpackages/esp2multipole.xml /usr/share/votca/xtp/xml/subpackages/gwbse.xml /usr/share/votca/xtp/xml/subpackages/localize.xml /usr/share/votca/xtp/xml/subpackages/polar.xml /usr/share/votca/xtp/xml/subpackages/region.xml /usr/share/votca/xtp/xml/subpackages/statetracker.xml /usr/share/votca/xtp/xml/vaverage.xml
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Fabrice Bellet, Tue Jul 9 22:32:40 2024