nwchem-7.0.2-4.el8 > 6 6_6 3!y덏%!E/֡_- !E/֡YΊsdEGWh lv.%Yr GF ֖ 'MpzZcqY' /-+;}x4jM0aLB+T@*!Ҙ0+[:T!J/Q/c"nk2c]\0kφjqj[p֙Ӛë>gLFzU\huy0@d(J*0DL*vW %ɮ)POql<QGDa]'ωt.} 6Ӕ${u4pXP ]uquFB;!Ԓɪ$EXYz[.D-iuxTU#Di[.^{(KK+5a!VCiloHN9糣* hƢ)Uy?}^aXLRdEf*,ќq+b0<˵;29w:ǗM0>* P6"җ E5 'fBn?yb6490a4768f21f91aa7b38d65cffee73f39eaa4ce2adb88d8626aad62390d79839f29e59ad80d12151e61c58b63c6ce684449f18-3!y덏%!E/֡_- !E/֡l,@2,mdd>%aqCWtUGP]IqCt'|nFڗ#b#6V6O}PuuaiPL:_Jk"{wRnc#OT%^"e,N`ފgNpWB &e_v+`m'蠇.`KT~4㪣{Tșl2+b2!聘tu˼R$lC4߂!jL R5%`t5LK4Ne47Xhwi Xq*]ܛ2V@j$ӼXIf]sEFn9l0>V[K+lv$rC~j Aoi_ȕ5{t}P;~"ZM;L^)j %LKg heJACݪR5Yu'mw/|#a?)ꔧ٨8My|>p'*?*d   T04\`o~ (8D9D:DX(Y(b(d)e)f*l*** *F*L*Cnwchem7.0.24.el8Delivering High-Performance Computational Chemistry to Science 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) There is currently no serial version built._buildvm-x86-27.iad2.fedoraproject.orgFedora ProjectFedora ProjectECL 2.0Fedora ProjectUnspecifiedhttps://nwchemgit.github.io/linuxx86_64nwchem-7.0.2-4.el8.src.rpmnwchemnwchem(x86-64)    nwchem-commonopenssh-clientsrpmlib(CompressedFileNames)rpmlib(FileDigests)rpmlib(PayloadFilesHavePrefix)rpmlib(PayloadIsXz)7.0.2-4.el83.0.4-14.6.0-14.0-15.2-14.14.3__@__9_H_ @^^^<@^wS@^r @^b;@^1s^&]4@]i]9\ \ \ޢ@\eX@\T4[K7@[H@[4[#@["X["X[oZ|;Y@YyXBXX @W@W!W!V=@VLh@V=V*!@U@UM@UUUa@U]U:TPTg@@S@S@SSCS(5@RRR@RUR&Rz/@QLQLP(@O-N@NMarcin Dulak - 7.0.2-4Marcin Dulak - 7.0.2-3Marcin Dulak - 7.0.2-2Edoardo Aprà - 7.0.2-1Iñaki Úcar - 7.0.0-11Fedora Release Engineering - 7.0.0-10Miro Hrončok - 7.0.0-9Björn Esser - 7.0.0-8Edoardo Aprà - 7.0.0-7Edoardo Aprà - 7.0.0-6Edoardo Aprà - 7.0.0-5Edoardo Aprà - 7.0.0-4Fedora Release Engineering - 7.0.0-3Marcin Dulak - 7.0.0-2Marcin Dulak - 7.0.0-1Marcin Dulak - 6.8.2-1Fedora Release Engineering - 6.8.1-11Marcin Dulak - 6.8.1-10Marcin Dulak - 6.8.1-9Marcin Dulak - 6.8.1-8Orion Poplawski - 6.8.1-7Fedora Release Engineering - 6.8.1-6Marcin Dulak - 6.8.1-6Fedora Release Engineering - 6.8.1-5Edoardo Apra - 6.8.1-4Marcin Dulak - 6.8.1-3Edoardo Apra - 6.8.1-2Marcin Dulak - 6.8.1-1Marcin Dulak - 6.6.27746-34Fedora Release Engineering - 6.6.27746-33Fedora Release Engineering - 6.6.27746-32Fedora Release Engineering - 6.6.27746-31Marcin Dulak - 6.6.27746-30Fedora Release Engineering - 6.6.27746-29Orion Poplawski - 6.6.27746-28Marcin Dulak - 6.6.27746-27Marcin Dulak - 6.6.27746-26Marcin Dulak - 6.6.27746-25Fedora Release Engineering - 6.6.27746-24Rafael Fonseca - 6.5.26243-23Marcin Dulak - 6.6.27746-22Susi Lehtola - 6.5.26243-21Orion Poplawski - 6.5.26243-20Marcin Dulak - 6.5.26243-19Marcin Dulak - 6.5.26243-18Sandro Mani - 6.5.26243-17Fedora Release Engineering - 6.5.26243-16Marcin Dulak - 6.5.26243-15Marcin Dulak - 6.5.26243-15Marcin Dulak - 6.5.26243-14Marcin Dulak - 6.5.26243-13Fedora Release Engineering - 6.3.2-12Marcin Dulak - 6.3.2-11Fedora Release Engineering - 6.3.2-10Marcin Dulak 6.3.2-9Björn Esser - 6.3.2-8Marcin Dulak 6.3.2-7Marcin Dulak 6.3.2-6Marcin Dulak 6.3.2-5Marcin Dulak 6.3.2-4Marcin Dulak 6.3.2-3Marcin Dulak 6.3.2-2Marcin Dulak 6.3.1-2Marcin Dulak 6.3.1-1Marcin Dulak 6.1.1-1Marcin Dulak 6.1-1Marcin Dulak 6.1.pre6-1Marcin Dulak 6.0-1- Patch for Python 3.10 - Compile with USE_NOIO=TRUE https://github.com/nwchemgit/nwchem/issues/272- Replace OMP_NUM_THREADS=1 with FLEXIBLAS=openblas-serial to restore https://src.fedoraproject.org/rpms/flexiblas/c/4286c061697330a8d30d2cd3a1d20f018da81258 - Replace mentions of the old website with nwchemgit.github.io- Set OMP_NUM_THREADS=1 https://github.com/edoapra/fedpkg/issues/10#issuecomment-699276160 - Fix hostname br for el6- new 7.0.2 release- https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild- Rebuilt for Python 3.9- Fix string quoting for rpm >= 4.16- nproc=1 for mpich/ppc64le- fix to get rid of HYDRA_DEBUG on mpich - drop rhel6 support- switch to ga 5.7-2.3 - enabled arm, aarch64 and ppc64le architectures - removed libibverbs-devel, ncurses-devel, zlib-devel and readline-devel - perl-File-Basename rpm needed on fedora 33 - 32bit build needed for arm - added patch to fix solvation failures on ppc64le- work-around for openmpi 4.0.1 segfault - skip tests for rhel6 mpich - fix for pspw when peigs is not available and scalapack is - fix for mcscf when peigs is not available and scalapack is - Using tarball from 7.0.0 official release- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild- new upstream snapshot release- new upstream snapshot release- new upstream snapshot release - switch to python3 br on fedora >= 30 bug #1738065- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild- removal of tcsh br requires a patch https://github.com/nwchemgit/nwchem/issues/120- remove br tcsh since it's orphaned in Fedora 30- explicit mpi related requires on epel7/epel6- Rebuild for openmpi 3.1.3- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild- protect yourself from Fedora changing rpm macros: no python_version available in f29- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild- requires ga rpm version >= 5.6.5-1- minor cleanup - br libibverbs-devel- 6.8.1 release tarball- upstream update, sources are at github now - drop el6 support- patch https://github.com/nwchemgit/nwchem/issues/41- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild- restore nwchemrc- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild- Rebuild for openmpi 2.0- apply upstream patches for gcc version 6 (see bug# 1356735) - set NWCHEM env variables instead of prepending (bug #1347788)- remove compiler native arch optimizations (see bug# 1347788)- kill hanging %check after 30min timeout (see bug #1356735) - remove defattr - prevent macros from continuing after an intermediate command error - handle mpi Requires explicitly due to el6 (see bug #1357018) - get rid of %{mpich} variables- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild- Make nwchem x86 exclusive because of its BuildRequires (#1278066)- upstream update - files-attr- Enable CCSDTQ and CCSDTLR.- Rebuild for openmpi 1.10.0- hostname is in net-tools only on el6- BuildRequires net-tools (hostname) needed- Rebuild for RPM MPI Requires Provides Change- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild- fix linking of mpich/openmpi- EACCSD, IPCCSD enabled - fix Fedora 23 linking of mpich/openmpi- fix bug #1196616 - allow SRPM build on noarch- upstream update - MRCC_THEORY and NWCHEM_LONG_PATHS enabled - exclude aarch64 - mpich3 on el6- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild- explicit Requires needed bug #1105509 - excluding tests (hang on Fedora 21 i686) - added arm to ifarch (koji does: rpmbuild -bs --target arm --nodeps)- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild- removed bundling of BLAS, LAPACK, GA- rebuilt for mpich-3.1- exclude ppc64 on el6- common is noarch - LICENSE* in common - %config(noreplace) %{_sysconfdir}/profile.d/* + more explicit glob - shorten %description and %summary - use serial atlas (-lsatlas) - export BLAS_SIZE=4 - fdupes removed: runs twice (for i686 and x86_64) and exchanges links on these two platforms, giving: BuildError: mismatch when analyzing ...- ExcludeArch: %arm- the idea of %optflags dropped, resulting executables were broken- https://bugzilla.redhat.com/show_bug.cgi?id=984605#c12: timestamps- update version - explicitly set ARMCI_NETWORK=SOCKETS for serial build - dependency on openssh-clients for serial build - use tatlas on Fedora >= 21 - basis are now under src/basis/libraries- conform to http://fedoraproject.org/wiki/Packaging:MPI#Packaging_of_MPI_software- adopted for Fedora and EPEL - split into the main and data package- restructured for build.opensuse.org and Fedora based on nwchem.spec- USE_NOFSCHECK set to True - src/data/* installed under %{prefix}/share/%{prgname}/data - contrib/python/Gnuplot.py excluded - scalapack build on Fedora (for some reason libscalapack.a not found on build.opensuse.org) - {doc,web} directories not in source anymore- allow pre releases to be built - fixed ga-5-0 configure problems on EL5 and openSUSE 11.3-12.1- initial version7.0.2-4.el87.0.2-4.el8-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protectioncpioxz2x86_64-redhat-linux-gnuhttps://bugz.fedoraproject.org/nwchemutf-8fa127960f98c176c3e57432cbd96a74767f5fa803db325c0eacae18b47d52105?7zXZ !#,{] b3;APtqB&DZ.#B+O(qrtpy z.Q|)K YZ