[Bug 542759] Review Request: mpqc - Ab-inito chemistry program

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https://bugzilla.redhat.com/show_bug.cgi?id=542759





--- Comment #22 from Carl Byington <carl at five-ten-sg.com>  2009-12-05 14:00:33 EDT ---
parallel disabled again, did not help with ghemical on multi-core anyway.

atlas changes unnecessary, since something is already picking that up. 

ldd $(which mpqc) | grep atlas
        liblapack.so.3 => /usr/lib/atlas/liblapack.so.3 (0x021e7000)
        libf77blas.so.3 => /usr/lib/atlas/libf77blas.so.3 (0x076b1000)
        libcblas.so.3 => /usr/lib/atlas/libcblas.so.3 (0x0036a000)
        libatlas.so.3 => /usr/lib/atlas/libatlas.so.3 (0x077e4000)

ldd /usr/lib/libghemical.so.5 | grep atlas
        liblapack.so.3 => /usr/lib/atlas/liblapack.so.3 (0x00b6d000)
        libf77blas.so.3 => /usr/lib/atlas/libf77blas.so.3 (0x008c3000)
        libcblas.so.3 => /usr/lib/atlas/libcblas.so.3 (0x005c4000)
        libatlas.so.3 => /usr/lib/atlas/libatlas.so.3 (0x010fe000)

http://www.five-ten-sg.com/mpqc.spec
http://www.five-ten-sg.com/mpqc-2.3.1-14.fc12.src.rpm  
http://koji.fedoraproject.org/koji/taskinfo?taskID=1851625

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