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#1 2016-12-02 15:45:52

Nuno
Member
Registered: 2016-01-15
Posts: 11

Maquis interface

Hello,

Do the current Molcas binaries come with any interface to Maquis ? Or is it necessary to rebuild MOLCAS from the source code?

Thanks,
Nuno

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#2 2016-12-03 09:06:22

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 558

Re: Maquis interface

The QCMaquis interface is under development, and only available with a development version of the source code (http://www.reiher.ethz.ch/software/maquis.html).

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#3 2018-03-14 15:59:42

Nuno
Member
Registered: 2016-01-15
Posts: 11

Re: Maquis interface

After a few headaches I have managed to successfully compile OpenMolcas without the QCMaquis interface. When I try to activate the QCMaquis modules I got as far as the linking stage but the compilation stops when linking the RASSCF binary with the message "More actual than formal arguments in procedure call at (1)" when using gcc 5.4. Has anyone else had trouble linking the Maquis interface?

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