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| Name: nwchem-common | Distribution: Fedora Project |
| Version: 7.2.2 | Vendor: Fedora Project |
| Release: 1.fc39 | Build date: Mon Nov 6 18:46:21 2023 |
| Group: Unspecified | Build host: buildhw-x86-15.iad2.fedoraproject.org |
| Size: 48104652 | Source RPM: nwchem-7.2.2-1.fc39.src.rpm |
| Packager: Fedora Project | |
| Url: https://nwchemgit.github.io/ | |
| Summary: nwchem - common files | |
NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) This package contains the data files.
ECL 2.0
* Mon Nov 06 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.2-1
- New upstream release
- Print outputs of failed tests https://github.com/nwchemgit/nwchem/issues/895
* Fri Oct 20 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.1-1
- New upstream release
* Thu Jul 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 7.2.0-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Tue Jun 13 2023 Python Maint <python-maint@redhat.com> - 7.2.0-3
- Rebuilt for Python 3.12
* Fri Jun 09 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.0-2
- Switch to flexiblas-openblas-openmp due to bug #2182460
* Tue Mar 28 2023 Marcin Dulak <marcindulak@fedoraproject.org> - 7.2.0-1
- New upstream release
- Build with libxc support bug #2081873
- Remove %{ix86} support due to openmpi bug #2142304
* Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.2-12
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Fri Jul 22 2022 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.2-11
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
* Mon Jun 13 2022 Python Maint <python-maint@redhat.com> - 7.0.2-10
- Rebuilt for Python 3.11
* Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.2-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
/etc/nwchemrc /etc/profile.d/nwchem.csh /etc/profile.d/nwchem.sh /usr/share/doc/nwchem-common /usr/share/doc/nwchem-common/LICENSE.TXT /usr/share/nwchem /usr/share/nwchem/amber_q /usr/share/nwchem/amber_q/ABE.frg /usr/share/nwchem/amber_q/BNZ.frg /usr/share/nwchem/amber_q/BTH.frg /usr/share/nwchem/amber_q/BTH.sgm /usr/share/nwchem/amber_q/BTO.frg /usr/share/nwchem/amber_q/BTO.sgm /usr/share/nwchem/amber_q/BUT.frg /usr/share/nwchem/amber_q/BUT.sgm /usr/share/nwchem/amber_q/CA.frg /usr/share/nwchem/amber_q/CTR.frg /usr/share/nwchem/amber_q/Ca.sgm /usr/share/nwchem/amber_q/DTT.frg /usr/share/nwchem/amber_q/EAM.frg /usr/share/nwchem/amber_q/FUC.sgm /usr/share/nwchem/amber_q/G31.frg /usr/share/nwchem/amber_q/G61.frg /usr/share/nwchem/amber_q/G64.frg /usr/share/nwchem/amber_q/GA1.frg /usr/share/nwchem/amber_q/GA2.frg /usr/share/nwchem/amber_q/GA3.frg /usr/share/nwchem/amber_q/GA3.sgm /usr/share/nwchem/amber_q/GAL.frg /usr/share/nwchem/amber_q/GAO.frg /usr/share/nwchem/amber_q/GC1.frg /usr/share/nwchem/amber_q/GC2.frg /usr/share/nwchem/amber_q/GC2.sgm /usr/share/nwchem/amber_q/GC3.sgm /usr/share/nwchem/amber_q/GCN.frg /usr/share/nwchem/amber_q/GDP.frg /usr/share/nwchem/amber_q/GL1.frg /usr/share/nwchem/amber_q/GL2.frg /usr/share/nwchem/amber_q/GL3.frg /usr/share/nwchem/amber_q/GL4.frg /usr/share/nwchem/amber_q/GL4.sgm /usr/share/nwchem/amber_q/GL5.frg /usr/share/nwchem/amber_q/GL5.sgm /usr/share/nwchem/amber_q/GL6.frg /usr/share/nwchem/amber_q/GL6.sgm /usr/share/nwchem/amber_q/GL7.frg /usr/share/nwchem/amber_q/GL7.sgm /usr/share/nwchem/amber_q/GL8.sgm /usr/share/nwchem/amber_q/GLT.sgm /usr/share/nwchem/amber_q/GNP.frg /usr/share/nwchem/amber_q/GTL.sgm /usr/share/nwchem/amber_q/GTP.frg /usr/share/nwchem/amber_q/HDH.frg /usr/share/nwchem/amber_q/HDH.sgm /usr/share/nwchem/amber_q/HDO.frg /usr/share/nwchem/amber_q/HDO.sgm /usr/share/nwchem/amber_q/HED.sgm /usr/share/nwchem/amber_q/HEM.frg /usr/share/nwchem/amber_q/HEP.frg /usr/share/nwchem/amber_q/HEP.sgm /usr/share/nwchem/amber_q/HP1.frg /usr/share/nwchem/amber_q/HP2.frg /usr/share/nwchem/amber_q/HP3.frg /usr/share/nwchem/amber_q/HP4.frg /usr/share/nwchem/amber_q/HP4.sgm /usr/share/nwchem/amber_q/HP5.frg /usr/share/nwchem/amber_q/HP5.sgm /usr/share/nwchem/amber_q/HPD.frg /usr/share/nwchem/amber_q/HXO.frg /usr/share/nwchem/amber_q/IPS.frg /usr/share/nwchem/amber_q/KD1.frg /usr/share/nwchem/amber_q/KD2.frg /usr/share/nwchem/amber_q/KD3.frg /usr/share/nwchem/amber_q/KD4.frg /usr/share/nwchem/amber_q/KD4.sgm /usr/share/nwchem/amber_q/KD5.frg /usr/share/nwchem/amber_q/KD5.sgm /usr/share/nwchem/amber_q/KDN.frg /usr/share/nwchem/amber_q/LCX.frg /usr/share/nwchem/amber_q/LPO.sgm /usr/share/nwchem/amber_q/MA2.sgm /usr/share/nwchem/amber_q/MA3.sgm /usr/share/nwchem/amber_q/MA4.sgm /usr/share/nwchem/amber_q/MAN.frg /usr/share/nwchem/amber_q/NH4.frg /usr/share/nwchem/amber_q/NTR.frg /usr/share/nwchem/amber_q/Na.sgm /usr/share/nwchem/amber_q/O4P.frg /usr/share/nwchem/amber_q/PET.frg 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/usr/share/nwchem/amber_q/lps_Pa/GL4.sgm /usr/share/nwchem/amber_q/lps_Pa/GL5.frg /usr/share/nwchem/amber_q/lps_Pa/GL5.sgm /usr/share/nwchem/amber_q/lps_Pa/GL6.frg /usr/share/nwchem/amber_q/lps_Pa/GL6.sgm /usr/share/nwchem/amber_q/lps_Pa/GL7.frg /usr/share/nwchem/amber_q/lps_Pa/GL7.sgm /usr/share/nwchem/amber_q/lps_Pa/HDH.frg /usr/share/nwchem/amber_q/lps_Pa/HDH.sgm /usr/share/nwchem/amber_q/lps_Pa/HDO.frg /usr/share/nwchem/amber_q/lps_Pa/HDO.sgm /usr/share/nwchem/amber_q/lps_Pa/HEP.frg /usr/share/nwchem/amber_q/lps_Pa/HEP.sgm /usr/share/nwchem/amber_q/lps_Pa/HP4.frg /usr/share/nwchem/amber_q/lps_Pa/HP4.sgm /usr/share/nwchem/amber_q/lps_Pa/HP5.frg /usr/share/nwchem/amber_q/lps_Pa/HP5.sgm /usr/share/nwchem/amber_q/lps_Pa/KD4.frg /usr/share/nwchem/amber_q/lps_Pa/KD4.sgm /usr/share/nwchem/amber_q/lps_Pa/KD5.frg /usr/share/nwchem/amber_q/lps_Pa/KD5.sgm /usr/share/nwchem/amber_q/lps_Pa/PET.frg /usr/share/nwchem/amber_q/lps_Pa/PET.sgm /usr/share/nwchem/amber_q/lps_Pa/PO4.frg /usr/share/nwchem/amber_q/lps_Pa/PO4.sgm /usr/share/nwchem/amber_q/lps_Pa/RH2.frg /usr/share/nwchem/amber_q/lps_Pa/RH2.sgm /usr/share/nwchem/amber_q/lps_ec /usr/share/nwchem/amber_q/lps_ec/BU1.frg /usr/share/nwchem/amber_q/lps_ec/BU2.frg /usr/share/nwchem/amber_q/lps_ec/GA1.frg /usr/share/nwchem/amber_q/lps_ec/GL1.frg /usr/share/nwchem/amber_q/lps_ec/GL2.frg /usr/share/nwchem/amber_q/lps_ec/GL3.frg /usr/share/nwchem/amber_q/lps_ec/GN1.frg /usr/share/nwchem/amber_q/lps_ec/GN2.frg /usr/share/nwchem/amber_q/lps_ec/HE1.frg /usr/share/nwchem/amber_q/lps_ec/HE2.frg /usr/share/nwchem/amber_q/lps_ec/HE3.frg /usr/share/nwchem/amber_q/lps_ec/HE4.frg /usr/share/nwchem/amber_q/lps_ec/KD1.frg /usr/share/nwchem/amber_q/lps_ec/KD2.frg /usr/share/nwchem/amber_q/lps_ec/PO4.frg /usr/share/nwchem/amber_q/lps_ec/POC.frg /usr/share/nwchem/amber_q/lps_ec/POH.frg /usr/share/nwchem/amber_q/lps_ec/PT1.frg /usr/share/nwchem/amber_q/lps_ec/PT2.frg /usr/share/nwchem/amber_s /usr/share/nwchem/amber_s/ACE.frg /usr/share/nwchem/amber_s/ACE_N.sgm /usr/share/nwchem/amber_s/ALA.frg /usr/share/nwchem/amber_s/ALA.sgm /usr/share/nwchem/amber_s/ALA_C.frg /usr/share/nwchem/amber_s/ALA_C.sgm /usr/share/nwchem/amber_s/ALA_N.frg /usr/share/nwchem/amber_s/ALA_N.sgm /usr/share/nwchem/amber_s/ARG.frg /usr/share/nwchem/amber_s/ARG.sgm /usr/share/nwchem/amber_s/ARG_C.frg /usr/share/nwchem/amber_s/ARG_C.sgm /usr/share/nwchem/amber_s/ARG_N.frg /usr/share/nwchem/amber_s/ARG_N.sgm /usr/share/nwchem/amber_s/ASH.frg /usr/share/nwchem/amber_s/ASH.sgm /usr/share/nwchem/amber_s/ASN.frg /usr/share/nwchem/amber_s/ASN.sgm /usr/share/nwchem/amber_s/ASN_C.frg /usr/share/nwchem/amber_s/ASN_C.sgm /usr/share/nwchem/amber_s/ASN_N.frg /usr/share/nwchem/amber_s/ASN_N.sgm /usr/share/nwchem/amber_s/ASP.frg /usr/share/nwchem/amber_s/ASP.sgm /usr/share/nwchem/amber_s/ASP_C.frg /usr/share/nwchem/amber_s/ASP_C.sgm /usr/share/nwchem/amber_s/ASP_N.frg /usr/share/nwchem/amber_s/ASP_N.sgm /usr/share/nwchem/amber_s/CYM.frg /usr/share/nwchem/amber_s/CYS.frg /usr/share/nwchem/amber_s/CYS.sgm /usr/share/nwchem/amber_s/CYS_C.frg /usr/share/nwchem/amber_s/CYS_C.sgm /usr/share/nwchem/amber_s/CYS_N.frg /usr/share/nwchem/amber_s/CYS_N.sgm /usr/share/nwchem/amber_s/CYX.frg /usr/share/nwchem/amber_s/CYX.sgm /usr/share/nwchem/amber_s/CYX1.sgm /usr/share/nwchem/amber_s/CYX2.sgm /usr/share/nwchem/amber_s/CYX_C.frg /usr/share/nwchem/amber_s/CYX_C.sgm /usr/share/nwchem/amber_s/CYX_N.frg /usr/share/nwchem/amber_s/Cl.frg /usr/share/nwchem/amber_s/Cl.sgm /usr/share/nwchem/amber_s/DA.frg /usr/share/nwchem/amber_s/DA_3.frg /usr/share/nwchem/amber_s/DA_5.frg /usr/share/nwchem/amber_s/DA_M.frg /usr/share/nwchem/amber_s/DC.frg /usr/share/nwchem/amber_s/DC_3.frg /usr/share/nwchem/amber_s/DC_5.frg /usr/share/nwchem/amber_s/DC_M.frg /usr/share/nwchem/amber_s/DG.frg /usr/share/nwchem/amber_s/DG_3.frg /usr/share/nwchem/amber_s/DG_5.frg /usr/share/nwchem/amber_s/DG_M.frg /usr/share/nwchem/amber_s/DT.frg /usr/share/nwchem/amber_s/DT_3.frg /usr/share/nwchem/amber_s/DT_5.frg /usr/share/nwchem/amber_s/DT_M.frg /usr/share/nwchem/amber_s/FE.frg /usr/share/nwchem/amber_s/GLH.frg /usr/share/nwchem/amber_s/GLH.sgm /usr/share/nwchem/amber_s/GLN.frg /usr/share/nwchem/amber_s/GLN.sgm /usr/share/nwchem/amber_s/GLN_C.frg /usr/share/nwchem/amber_s/GLN_C.sgm /usr/share/nwchem/amber_s/GLN_N.frg /usr/share/nwchem/amber_s/GLN_N.sgm /usr/share/nwchem/amber_s/GLU.frg /usr/share/nwchem/amber_s/GLU.sgm /usr/share/nwchem/amber_s/GLU_C.frg /usr/share/nwchem/amber_s/GLU_C.sgm /usr/share/nwchem/amber_s/GLU_N.frg /usr/share/nwchem/amber_s/GLU_N.sgm /usr/share/nwchem/amber_s/GLY.frg /usr/share/nwchem/amber_s/GLY.sgm /usr/share/nwchem/amber_s/GLY_C.frg /usr/share/nwchem/amber_s/GLY_C.sgm /usr/share/nwchem/amber_s/GLY_N.frg /usr/share/nwchem/amber_s/GLY_N.sgm /usr/share/nwchem/amber_s/HID.frg /usr/share/nwchem/amber_s/HID.sgm /usr/share/nwchem/amber_s/HID_C.frg /usr/share/nwchem/amber_s/HID_C.sgm /usr/share/nwchem/amber_s/HID_N.frg /usr/share/nwchem/amber_s/HID_N.sgm /usr/share/nwchem/amber_s/HIE.frg /usr/share/nwchem/amber_s/HIE.sgm /usr/share/nwchem/amber_s/HIE_C.frg /usr/share/nwchem/amber_s/HIE_C.sgm /usr/share/nwchem/amber_s/HIE_N.frg /usr/share/nwchem/amber_s/HIE_N.sgm /usr/share/nwchem/amber_s/HIP.frg /usr/share/nwchem/amber_s/HIP.sgm /usr/share/nwchem/amber_s/HIP_C.frg /usr/share/nwchem/amber_s/HIP_C.sgm /usr/share/nwchem/amber_s/HIP_N.frg /usr/share/nwchem/amber_s/HIP_N.sgm /usr/share/nwchem/amber_s/HOH.frg /usr/share/nwchem/amber_s/ILE.frg /usr/share/nwchem/amber_s/ILE.sgm /usr/share/nwchem/amber_s/ILE_C.frg /usr/share/nwchem/amber_s/ILE_C.sgm /usr/share/nwchem/amber_s/ILE_N.frg /usr/share/nwchem/amber_s/ILE_N.sgm /usr/share/nwchem/amber_s/IM.frg /usr/share/nwchem/amber_s/IM.sgm /usr/share/nwchem/amber_s/IP.frg /usr/share/nwchem/amber_s/K.frg /usr/share/nwchem/amber_s/K.sgm /usr/share/nwchem/amber_s/LEU.frg /usr/share/nwchem/amber_s/LEU.sgm /usr/share/nwchem/amber_s/LEU_C.frg /usr/share/nwchem/amber_s/LEU_C.sgm /usr/share/nwchem/amber_s/LEU_N.frg /usr/share/nwchem/amber_s/LEU_N.sgm /usr/share/nwchem/amber_s/LYN.frg /usr/share/nwchem/amber_s/LYS.frg /usr/share/nwchem/amber_s/LYS.sgm /usr/share/nwchem/amber_s/LYS_C.frg /usr/share/nwchem/amber_s/LYS_C.sgm /usr/share/nwchem/amber_s/LYS_N.frg /usr/share/nwchem/amber_s/LYS_N.sgm /usr/share/nwchem/amber_s/Li.frg /usr/share/nwchem/amber_s/MET.frg /usr/share/nwchem/amber_s/MET.sgm /usr/share/nwchem/amber_s/MET_C.frg /usr/share/nwchem/amber_s/MET_C.sgm /usr/share/nwchem/amber_s/MET_N.frg /usr/share/nwchem/amber_s/MET_N.sgm /usr/share/nwchem/amber_s/MG.frg /usr/share/nwchem/amber_s/NME.frg /usr/share/nwchem/amber_s/NME_C.sgm /usr/share/nwchem/amber_s/Na.frg /usr/share/nwchem/amber_s/Na.sgm /usr/share/nwchem/amber_s/PHE.frg /usr/share/nwchem/amber_s/PHE.sgm /usr/share/nwchem/amber_s/PHE_C.frg /usr/share/nwchem/amber_s/PHE_C.sgm /usr/share/nwchem/amber_s/PHE_N.frg /usr/share/nwchem/amber_s/PHE_N.sgm /usr/share/nwchem/amber_s/PRO.frg /usr/share/nwchem/amber_s/PRO.sgm /usr/share/nwchem/amber_s/PRO_C.frg /usr/share/nwchem/amber_s/PRO_C.sgm /usr/share/nwchem/amber_s/PRO_N.frg /usr/share/nwchem/amber_s/PRO_N.sgm /usr/share/nwchem/amber_s/RA.frg /usr/share/nwchem/amber_s/RA_3.frg /usr/share/nwchem/amber_s/RA_5.frg /usr/share/nwchem/amber_s/RA_M.frg /usr/share/nwchem/amber_s/RC.frg /usr/share/nwchem/amber_s/RC_3.frg /usr/share/nwchem/amber_s/RC_5.frg /usr/share/nwchem/amber_s/RC_M.frg /usr/share/nwchem/amber_s/RG.frg /usr/share/nwchem/amber_s/RG_3.frg /usr/share/nwchem/amber_s/RG_5.frg /usr/share/nwchem/amber_s/RG_M.frg /usr/share/nwchem/amber_s/RU.frg /usr/share/nwchem/amber_s/RU_3.frg /usr/share/nwchem/amber_s/RU_5.frg /usr/share/nwchem/amber_s/RU_M.frg /usr/share/nwchem/amber_s/SER.frg /usr/share/nwchem/amber_s/SER.sgm /usr/share/nwchem/amber_s/SER_C.frg /usr/share/nwchem/amber_s/SER_C.sgm /usr/share/nwchem/amber_s/SER_N.frg 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