A..1 Installation of pre-built binaries

Binaries are given as self-extracting tar archives which are installed by running them on the command line. There are binaries tuned for several architectures. These also support parallel execution. The parallel binaries are built using GA with MPI.

The tar archives are fully relocatable, the location can be changed when running the script interactively, the default is /usr/local.

If the script finds a licence key which has been cached in $HOME/.molpro/token from a previous install then that key will be installed with the software. If the script cannot find a key or automatically download it from the molpro website then the script will prompt that this part of the install has failed. All files of Molpro are installed, but the user must then manually install the key with the library files in a file named .token, e.g.:

Other configuration options as described in section A.2.5 may also be specified in the script file:

molpro@molpro.net 2019-05-25