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Up: A. Installation of MOLPRO
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Binaries are given as
RPM (see
http://www.rpm.org)
packages which are installed in the standard way. There are two
different RPMs: one contains the program, and the other documentation,
and either may be installed independently of the other. At present
these RPMs are not relocatable, and will install under
/usr/local.
Once the program has been installed using, for example,
rpm -Uhv molpro-2002.7
.i386.rpm
some post-installation configuration is necessary, and this is
accomplished by changing or adding options in the script file that
runs the program, usually
/usr/local/bin/molpro.
Most importantly, a valid licence token must be given in a -k
option. Other configuration options
as described in
section 3.6 may also be specified.
molpro@molpro.net
Feb 26, 2003