A..2.8 Installing the program for production

Although the program can be used in situ, it is usually convenient to copy only those files needed at run time into appropriate installation directories as specified at configuration time (see section A.2.3) and stored in the file CONFIG. To install the program in this way, do

make install

The complete source tree can then be archived and deleted. The overall effect of this is to create a shell script in the INSTBIN directory. The name should relate to the architecture, type of build, integer etc. Symbolic links relating to the type of build are then made, and finally providing that INSTBIN/molpro is not a file, a symbolic link is created to the new script. In some cases it is preferable to create a localized script in INSTBIN/molpro which will not be over written. The overall effect of this cascade of links is to provide, in the normal case, the commands molpro and one or both of molpros (serial) and molprop (parallel) for normal use, with the long names remaining available for explicit selection of particular variants.

For normal single-variant installations, none of the above has to be worried about, and the molpro command will be available from directory INSTBIN.

During the install process the key from $HOME/.molpro/token is copied to PREFIX/.token so that the key will work for all users of the installed version.

molpro@molpro.net 2019-04-23