Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
| Rev | Line | |
|---|
| [0b990d] | 1 | #!/usr/bin/env perl
|
|---|
| 2 | #eval 'exec perl $0 $*'
|
|---|
| 3 | # if 0;
|
|---|
| 4 |
|
|---|
| 5 | $libsc = "@sclibdir@/cca";
|
|---|
| 6 | $libgeneric = "@CCA_CHEM_LIB@";
|
|---|
| 7 |
|
|---|
| 8 | use Getopt::Long;
|
|---|
| 9 |
|
|---|
| 10 | $scref="";
|
|---|
| 11 | $dir=".";
|
|---|
| 12 | $help=0;
|
|---|
| 13 | GetOptions("scref=s" => \$scref,
|
|---|
| 14 | "dir=s" => \$dir,
|
|---|
| 15 | "help!" => \$help );
|
|---|
| 16 |
|
|---|
| 17 | if( $scref eq "" ) {
|
|---|
| 18 | print "error: value required for --scref\n";
|
|---|
| 19 | exit(0);
|
|---|
| 20 | }
|
|---|
| 21 | $dir =~ s/\/^//;
|
|---|
| 22 | $scref =~ s/\/^//;
|
|---|
| 23 |
|
|---|
| 24 | if ($help) {
|
|---|
| 25 | print "Usage: $ARGV[0] [options] [file1] [file2] ...\n";
|
|---|
| 26 | print "Options:\n";
|
|---|
| 27 | print " --scref dir path to ref directory\n";
|
|---|
| 28 | print " --dir dir path to output dir\n";
|
|---|
| 29 | print " --help print this help\n";
|
|---|
| 30 | exit 0;
|
|---|
| 31 | }
|
|---|
| 32 |
|
|---|
| 33 | foreach (@ARGV) {
|
|---|
| 34 |
|
|---|
| 35 | chomp;
|
|---|
| 36 | $full_input_file = $_;
|
|---|
| 37 | $full_input_file =~ m/([^\/]*)\/?$/;
|
|---|
| 38 | $input_file = $1;
|
|---|
| 39 | open INPUT,"<$full_input_file";
|
|---|
| 40 | open OUTPUT,">$dir/$input_file.in";
|
|---|
| 41 |
|
|---|
| 42 | while (<INPUT>) {
|
|---|
| 43 | $line = $_;
|
|---|
| 44 | $line =~ s/%LIBSC%/$libsc/;
|
|---|
| 45 | $line =~ s/%LIBGENERIC%/$libgeneric/;
|
|---|
| 46 | $line =~ s/%SCREF%/$scref/;
|
|---|
| 47 | print OUTPUT "$line";
|
|---|
| 48 | }
|
|---|
| 49 |
|
|---|
| 50 | close INPUT;
|
|---|
| 51 | close OUTPUT;
|
|---|
| 52 | }
|
|---|
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