mirror of https://gitlab.com/QEF/q-e.git
240 lines
10 KiB
EmacsLisp
240 lines
10 KiB
EmacsLisp
;; cp-mode.el
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;;
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;; Copyright (C) 2016 Quantum ESPRESSO group
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;; This file is distributed under the terms of the
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;; GNU General Public License. See the file `License'
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;; in the root directory of the present distribution,
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;; or http://www.gnu.org/copyleft/gpl.txt .
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;;
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;; Author: Anton Kokalj (tone.kokalj at ijs.si)
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;;
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;; Acknowledgments:
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;;
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;; The implementation of qe-modes package was made possible by several
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;; useful and helpful resources that are gratefully acknowledged, in
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;; particular: "Mode Tutorial" of Scott Andrew Borton
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;; (https://www.emacswiki.org/emacs/ModeTutorial, for indentation
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;; code), "Derived Mode" and "Sample Mode" pages
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;; (https://www.emacswiki.org/emacs/DerivedMode,
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;; https://www.emacswiki.org/emacs/SampleMode) as well as the very
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;; useful resources of Xah Lee
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;; (http://ergoemacs.org/emacs/elisp_syntax_coloring.html). Sebastijan
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;; Peljhan is acknowledged for his work on `xsf-mode' that inspired
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;; the idea of writing the qe-modes. Last but not the least,
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;; Hongyi Zhao contributed the ido-completion-read snippet of
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;; code for selecting the values for the card's flags.
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;; This file is not part of GNU Emacs.
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; This program is free software; you can redistribute it and/or modify
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;; it under the terms of the GNU General Public License as published by
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;; the Free Software Foundation; either version 2, or (at your option)
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;; any later version.
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;;
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;; This lisp script is distributed in the hope that it will be useful,
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;; but WITHOUT ANY WARRANTY; without even the implied warranty of
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;; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
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;;
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;; Permission is granted to distribute copies of this lisp script
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;; provided the copyright notice and this permission are preserved in
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;; all copies.
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;;
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;; You should have received a copy of the GNU General Public License
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;; along with this program; if not, you can either send email to this
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;; program's maintainer or write to: The Free Software Foundation,
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;; Inc.; 675 Massachusetts Avenue; Cambridge, MA 02139, USA.
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; send bug reports to the author (tone.kokalj at ijs.si)
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;;; Commentary:
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;; This is the `cp-mode', a major mode for composing the Quantum ESPRESSO
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;; QE-cp.x input files. For the installation and usage, see the
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;; user_guide.pdf in the Doc/ subdirectory of the original package
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;; (quick installation instructions are also available in the README
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;; file of the original package).
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;;; Code:
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(require 'font-lock)
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(require 'regexp-opt)
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(defvar cp-mode-hook nil)
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; basic variables
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;; cp's supercards (if any)
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(defvar cp-open-supercards (list ))
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(defvar cp-closed-supercards (list "AUTOPILOT" "ENDRULES" ))
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;; cp's namelists
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(defvar cp-namelists (list "&CELL" "&CONTROL" "&ELECTRONS" "&IONS" "&PRESS_AI" "&SYSTEM" "&WANNIER" ))
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(defvar qe-end-namelist (list "&END" "/"))
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;; cp's variables
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(defvar cp-vars (list "A" "B" "C" "Hubbard_U" "P_ext" "P_fin" "P_in" "Surf_t" "abisur" "abivol" "adapt" "ampre" "amprp" "assume_isolated" "calculation" "calwf" "cell_damping" "cell_dofree" "cell_dynamics" "cell_factor" "cell_parameters" "cell_temperature" "cell_velocities" "celldm" "conv_thr" "cosAB" "cosAC" "cosBC" "degauss" "disk_io" "dt" "dthr" "ecfixed" "ecutrho" "ecutwfc" "efield" "efx0" "efx1" "efy0" "efy1" "efz0" "efz1" "ekin_conv_thr" "ekincw" "electron_damping" "electron_dynamics" "electron_maxstep" "electron_temperature" "electron_velocities" "emass" "emass_cutoff" "epol" "etot_conv_thr" "exx_dis_cutoff" "exx_fraction" "exx_me_rcut_pair" "exx_me_rcut_self" "exx_neigh" "exx_poisson_eps" "exx_ps_rcut_pair" "exx_ps_rcut_self" "exx_use_cube_domain" "fnhscl" "fnosee" "fnoseh" "fnosep" "forc_conv_thr" "grease" "greash" "greasp" "ibrav" "iesr" "input_dft" "ion_damping" "ion_dynamics" "ion_nstepe" "ion_positions" "ion_radius" "ion_temperature" "ion_velocities" "iprint" "isave" "lambda_cold" "lda_plus_u" "london_rcut" "london_s6" "max_seconds" "maxiter" "maxwfdt" "memory" "n_inner" "nat" "nbnd" "ndega" "ndr" "ndw" "nhgrp" "nhpcl" "nhptyp" "nit" "niter_cg_restart" "niter_cold_restart" "nr1" "nr1b" "nr1s" "nr2" "nr2b" "nr2s" "nr3" "nr3b" "nr3s" "nsd" "nspin" "nstep" "nsteps" "ntyp" "nwf" "occupations" "ortho_eps" "ortho_max" "ortho_para" "orthogonalization" "outdir" "passop" "pre_state" "prefix" "press" "pseudo_dir" "pvar" "q2sigma" "qcutz" "remove_rigid_rot" "restart_mode" "rho_thr" "saverho" "smearing" "startingwfc" "sw_len" "tabps" "tcg" "tefield" "temph" "tempw" "title" "tolp" "tolw" "tot_charge" "tot_magnetization" "tprnfor" "tranp" "ts_vdw" "ts_vdw_econv_thr" "ts_vdw_isolated" "tstress" "vdw_corr" "verbosity" "wf_efield" "wf_friction" "wf_q" "wf_switch" "wfdt" "wffort" "wfsd" "wmass" "writev" ))
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;; cp's cards & keywords
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(defvar cp-cards (list "ATOMIC_FORCES" "ATOMIC_POSITIONS" "ATOMIC_SPECIES" "ATOMIC_VELOCITIES" "CELL_PARAMETERS" "CONSTRAINTS" "OCCUPATIONS" "PLOT_WANNIER" "REF_CELL_PARAMETERS" "on_step" ))
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;; cp's flags
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(defvar cp-flags (list "alat" "angstrom" "bohr" "crystal" ))
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; derived variables
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(defvar cp-open-supercards-regexp (regexp-opt cp-open-supercards 'symbols)) ; may not exists
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(defvar cp-closed-supercards-regexp (regexp-opt cp-closed-supercards 'symbols)) ; may not exists
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(defvar cp-cards-regexp (regexp-opt
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(append cp-cards cp-open-supercards) 'symbols))
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(defvar cp-flags-regexp (regexp-opt cp-flags 'symbols))
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(defvar cp-namelist-face (cons (regexp-opt (append cp-namelists qe-end-namelist) 'symbols) font-lock-function-name-face))
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(defvar cp-variable-face (cons (regexp-opt cp-vars 'symbols) font-lock-variable-name-face))
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;; logical values as constants
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(defvar qe-logic-face (cons (regexp-opt (list ".t." ".true." ".f." ".false.")) font-lock-constant-face))
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; regexp for indentation
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(defvar cp-decr-indent-fold-t-re (concat "^[ \t]*" (regexp-opt qe-end-namelist t)))
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(defvar cp-decr-indent-re (concat "^[ \t]*" (regexp-opt
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(append cp-cards cp-open-supercards cp-closed-supercards) t)))
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;;
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(defvar cp-deindent-fold-t-re (concat "^[ \t]*" (regexp-opt qe-end-namelist t)))
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;;
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(defvar cp-indent-fold-t-re (concat "^[ \t]*" (regexp-opt cp-namelists t)))
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(defvar cp-indent-re (concat "^[ \t]*" (regexp-opt cp-cards t)))
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; supercards, cards and flags are case sensitive -- here are the corresponding matchers
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(defun cp-closed-supercards-matcher (limit)
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(let ((case-fold-search nil))
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(re-search-forward cp-closed-supercards-regexp limit 'no-error)))
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(defun cp-cards-matcher (limit)
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(let ((case-fold-search nil))
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(re-search-forward cp-cards-regexp limit 'no-error)))
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(defun cp-flags-matcher (limit)
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(let ((case-fold-search nil))
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(re-search-forward cp-flags-regexp limit 'no-error)))
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(font-lock-add-keywords 'cp-mode (list
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cp-namelist-face
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cp-variable-face
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qe-logic-face
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'("," . font-lock-builtin-face)
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'("(" . font-lock-builtin-face)
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'(")" . font-lock-builtin-face)
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))
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; register the keywords
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(font-lock-add-keywords 'cp-mode '(
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(cp-closed-supercards-matcher 1 font-lock-preprocessor-face t)
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(cp-cards-matcher 1 font-lock-keyword-face t)
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(cp-flags-matcher 1 font-lock-type-face t)
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))
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;;(defvar cp-keywords '(cp-namelist-face cp-variable-face))
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(defvar cp-keywords '(((list "") . font-lock-constant-face)))
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; define the sytnax of strings
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(defvar cp-mode-syntax-table
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(let ((table (make-syntax-table)))
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(modify-syntax-entry ?\' "\"'" table)
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(modify-syntax-entry ?\" "\"\"" table)
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table)
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"Syntax table in use in `cp-mode' buffers.")
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; code for auto-indenting
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(defvar qe-indent 3)
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(defun cp-indent-line ()
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"Indent current line according to cp input syntax."
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(interactive)
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(beginning-of-line)
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(if (bobp)
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(indent-line-to 0) ; First line indented to column 0
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(let ((not-indented t) cur-indent)
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(if (or (looking-at cp-decr-indent-fold-t-re)
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(let ((case-fold-search nil)) (looking-at cp-decr-indent-re))) ; If the line we are looking at is the end of a block, then decrease the indentation
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(progn
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(save-excursion
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(forward-line -1)
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(setq cur-indent (- (current-indentation) qe-indent)))
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(if (< cur-indent 0) ; We can't indent past the left margin
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(setq cur-indent 0)))
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(save-excursion
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(while not-indented ; Iterate backwards until we find an indentation hint
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(forward-line -1)
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(if (looking-at cp-deindent-fold-t-re) ; This hint indicates that we need to indent at the level of the "/" token
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(progn
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(setq cur-indent (current-indentation))
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(setq not-indented nil))
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(if (or (looking-at cp-indent-fold-t-re)
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(let ((case-fold-search nil)) (looking-at cp-indent-re))) ; This hint indicates that we need to indent an extra level
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(progn
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(setq cur-indent (+ (current-indentation) qe-indent)) ; Do the actual indenting
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(setq not-indented nil))
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(if (bobp)
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(setq not-indented nil)))))))
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(if cur-indent
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(indent-line-to cur-indent)
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(indent-line-to 0))))) ; If we didn't see an indentation hint, then allow no indentation
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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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;; define the cp-mode as derived-mode
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(define-derived-mode cp-mode prog-mode
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"QE-cp.x"
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"Major mode for editing Qunatum-ESPRESSO input files (QE-cp.x mode)"
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(setq font-lock-defaults '((cp-keywords) nil t))
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(set (make-local-variable 'indent-line-function) 'cp-indent-line)
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;; define the syntax of comments
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(setq comment-start "!")
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(setq comment-end "")
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(modify-syntax-entry ?! "< b" cp-mode-syntax-table)
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(modify-syntax-entry ?\n "> b" cp-mode-syntax-table)
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(modify-syntax-entry ?= " " cp-mode-syntax-table) ;; treat "=" non symbol constituent
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;; end
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)
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;; free memory
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(setq cp-namelists nil)
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(setq cp-vars nil)
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(setq cp-cards nil)
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(setq cp-flags nil)
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(setq cp-open-supercards nil)
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(setq cp-closed-supercards nil)
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(require 'qe-funcs)
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(provide 'cp-mode)
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