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Update alias script to have dispersion/dos.pl outside of container #24

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Merged
DBJochym merged 1 commit into from
Dec 8, 2025
Merged

Update alias script to have dispersion/dos.pl outside of container #24

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2 changes: 0 additions & 2 deletions docs/workshop/serial_executables.conf
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Original file line number Diff line number Diff line change
Expand Up @@ -46,8 +46,6 @@ den2grd
den2vasp
den2xplor
den2xsf
dispersion.pl
dos.pl
easy-install.pth
elastics.py
f2py
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6 changes: 5 additions & 1 deletion docs/workshop/vm_aliases.sh
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Expand Up @@ -24,9 +24,13 @@ for exe in $serial_executables; do
prepend_command "castep" "$exe"
done

# alias for dispersion.pl and dos.pl so that they are called outside of the container
alias "dispersion.pl"="/course_materials/dispersion.pl"
alias "dos.pl"="/course_materials/dos.pl"

# an extra alias for the serial version of castep
alias "castep.serial"="castep castep.mpi"

# For the MPI executables, prepend castep-mpi to mpirun
# For the MPI executables, prepend castep-mpi to mpirun
# and that will anyway ensure that the mpi versions of the executables are used
alias "mpirun"="castep mpirun"