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Viewing changes to src/bin/cctriples/triples.c

  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck
  • Date: 2008-06-07 16:49:57 UTC
  • mfrom: (2.1.2 hardy)
  • Revision ID: james.westby@ubuntu.com-20080607164957-8pifvb133yjlkagn
Tags: 3.3.0-3
* debian/rules (DEB_MAKE_CHECK_TARGET): Do not abort test suite on
  failures.
* debian/rules (DEB_CONFIGURE_EXTRA_FLAGS): Set ${bindir} to /usr/lib/psi.
* debian/rules (install/psi3): Move psi3 file to /usr/bin.
* debian/patches/07_464867_move_executables.dpatch: New patch, add
  /usr/lib/psi to the $PATH, so that the moved executables are found.
  (closes: #464867)
* debian/patches/00list: Adjusted.

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  get_moinfo();
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  fndcor(&(memory),infile,outfile);
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  errcod = ip_string("WFN", &(params.wfn), 0);
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  if(strcmp(params.wfn, "CCSD") && strcmp(params.wfn, "CCSD_T") &&
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     strcmp(params.wfn,"BCCD") && strcmp(params.wfn,"BCCD_T")) {
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    fprintf(outfile, "Invalid value of input keyword WFN: %s\n", params.wfn);
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    exit(PSI_RETURN_FAILURE);
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  }
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  cachefiles = init_int_array(PSIO_MAXUNIT);
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  if(params.ref == 0) { /*** RHF ***/
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  sprintf(progid, ":%s",gprgid());
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  psi_start(argc-1,argv+1,0);
 
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  ip_cwk_add(":INPUT");
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  ip_cwk_add(progid);
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  free(progid);
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  tstart(outfile);