nwchem-6.6.27746-22.fc22$>ȧh΢}|rP>#?d   Z48\`o~ (89D: XYbdeflCnwchem6.6.2774622.fc22Delivering 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.V>)buildvm-03.phx2.fedoraproject.orgFedora ProjectFedora ProjectECL 2.0Fedora ProjectUnspecifiedhttp://www.nwchem-sw.org/linuxi686nwchem-6.6.27746-22.fc22.src.rpmnwchemnwchem(x86-32)    nwchem-commonopenssh-clientsrpmlib(CompressedFileNames)rpmlib(FileDigests)rpmlib(PayloadFilesHavePrefix)rpmlib(PayloadIsXz)6.6.27746-22.fc223.0.4-14.6.0-14.0-15.2-14.12.0.1V=V*!@U@UM@UUUa@U]U:TPTg@@S@S@SSCS(5@RRR@RUR&Rz/@QLQLP(@O-N@NMarcin 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- 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 version6.6.27746-22.fc226.6.27746-22.fc22-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m32 -march=i686 -mtune=atom -fasynchronous-unwind-tablesdrpmxz2i686-redhat-linux-gnu?7zXZ !#,-|]"k%wH@NXa){dQ:0yU`Q3'.g?j6qƊh%X NZg>\;X:ubѸֲSg`pvXCS_th8# ?Npyer^/ R#d *|"{sQ}r rԎH&A0-N! jS,p=qmj Cm;?ArV&쾃n% !0LfqSi-T焃nD3g;JG x,\wb& B^9nk\tfSXy6%.6"gㅘxC%6-:HjUJ~waHojr /?+y!6yؼz`mv ?Ef2uL76lͪ2V`hW 9ᎆi*c|"և9I~q dgd:!:?wɏb IWU]N5ZrV|`w/>55c0yQ* !S$6I>: ^\Q*Au E@<&㪞/ 7#SBIc ;R*rSȸdyjGm{v  ,d|@B+7lRI3Ae J921^Rx>a];sAqg6:l`d!:4z)R?.4%p^Sv7}SϋdB.( 0: 0eR.kKs${6c_!Ki9ns&9|YMLs[[NzoIr^6#6>Xk=5#,9& Ze))8k'؆[ *;o<.·BvO3z7If/.r:2|bCQ{x 3Ósh#²/G]+]QNhì#ߔ.3_eԻܭl08+DӍRX;VnyͱɡlcGU7r{-#Ѳ"dt ="2 jYAǥkbjBpSLXG.Y;VrP5\Pئ5%=32bϬ/3%kOs~Ib"v,A5TzY|U)FV@$PאKu1ƋxQrtA2Ga*4'Q' Rف٘fW%\ԱC*)7Pn*5I, Ĉ#C`? cT GƼ2