chore: use nunjucks template

Exabyte-io · Nov 13, 2024 · ed06011 · ed06011
1 parent 64cf1bf
commit ed06011
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diff --git a/assets/espresso/bands.j2.in b/assets/espresso/bands.j2.in
@@ -1,7 +1,7 @@
 &BANDS
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    filband = {% raw %}'{{ JOB_WORK_DIR }}/bands.dat'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    filband = {% verbatim %}'{{ JOB_WORK_DIR }}/bands.dat'{% endverbatim %}
     no_overlap = .true.
 /
 
diff --git a/assets/espresso/bands_spin_dn.j2.in b/assets/espresso/bands_spin_dn.j2.in
@@ -1,7 +1,7 @@
 &BANDS
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    filband = {% raw %}'{{ JOB_WORK_DIR }}/bands_dn.dat'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    filband = {% verbatim %}'{{ JOB_WORK_DIR }}/bands_dn.dat'{% endverbatim %}
     spin_component = 2
     no_overlap = .true.
 /

diff --git a/assets/espresso/bands_spin_up.j2.in b/assets/espresso/bands_spin_up.j2.in
@@ -1,7 +1,7 @@
 &BANDS
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    filband = {% raw %}'{{ JOB_WORK_DIR }}/bands_up.dat'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    filband = {% verbatim %}'{{ JOB_WORK_DIR }}/bands_up.dat'{% endverbatim %}
     spin_component = 1
     no_overlap = .true.
 /

diff --git a/assets/espresso/cp.j2.in b/assets/espresso/cp.j2.in
@@ -6,9 +6,9 @@
     restart_mode = '{{ input.RESTART_MODE }}'
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}'{% endverbatim %}
     prefix = 'cp'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
     nstep = {{ dynamics.numberOfSteps }}
     iprint = 1
     dt = {{ dynamics.timeStep }}

diff --git a/assets/espresso/cp_wf.j2.in b/assets/espresso/cp_wf.j2.in
@@ -6,9 +6,9 @@
     restart_mode = '{{ input.RESTART_MODE }}'
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}'{% endverbatim %}
     prefix = 'cp_wf'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
     nstep = {{ dynamics.numberOfSteps }}
     iprint = 1
     dt = {{ dynamics.timeStep }}

diff --git a/assets/espresso/dos.j2.in b/assets/espresso/dos.j2.in
@@ -1,6 +1,6 @@
 &DOS
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     degauss = 0.01
 /
 
diff --git a/assets/espresso/epsilon.j2.in b/assets/espresso/epsilon.j2.in
@@ -1,7 +1,7 @@
 &inputpp
     calculation = "eps"
     prefix = "__prefix__"
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
 /
 
 &energy_grid

diff --git a/assets/espresso/gw_bands_full_frequency.j2.in b/assets/espresso/gw_bands_full_frequency.j2.in
@@ -4,7 +4,7 @@
 
   ! config of the scf run
   prefix         = '__prefix__'
-  outdir         = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+  outdir         = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
 
   ! the grid used for the linear response
   kpt_grid       = {{ kgrid.dimensions|join(', ') }}

diff --git a/assets/espresso/gw_bands_plasmon_pole.j2.in b/assets/espresso/gw_bands_plasmon_pole.j2.in
@@ -4,7 +4,7 @@
 
   ! config of the scf run
   prefix         = '__prefix__'
-  outdir         = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+  outdir         = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
 
   ! the grid used for the linear response
   kpt_grid       = {{ kgrid.dimensions|join(', ') }}

diff --git a/assets/espresso/gww_simple.j2.in b/assets/espresso/gww_simple.j2.in
@@ -1,6 +1,6 @@
 &inputgww
     ggwin%prefix = '__prefix__'
-    ggwin%outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    ggwin%outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     ggwin%n = 97,
     ggwin%n_fit = 120,
     ggwin%max_i = 32,

diff --git a/assets/espresso/head_simple.j2.in b/assets/espresso/head_simple.j2.in
@@ -1,7 +1,7 @@
 calculation of head
 &inputph
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     trans = .false.
     l_head = .true.
     tr2_ph = 1.d-4

diff --git a/assets/espresso/hp.j2.in b/assets/espresso/hp.j2.in
@@ -1,6 +1,6 @@
 &inputhp
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     {%- for d in qgrid.dimensions %}
     nq{{ loop.index }} = {{ d }}
     {%- endfor %}

diff --git a/assets/espresso/neb.j2.in b/assets/espresso/neb.j2.in
@@ -16,8 +16,8 @@ END_PATH_INPUT
 BEGIN_ENGINE_INPUT
 &CONTROL
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/ph_gamma.j2.in b/assets/espresso/ph_gamma.j2.in
@@ -3,6 +3,6 @@
     asr = .true.
     search_sym = .false.
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
 /
 0 0 0
diff --git a/assets/espresso/ph_grid.j2.in b/assets/espresso/ph_grid.j2.in
@@ -3,7 +3,7 @@
     asr = .true.
     search_sym = .false.
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     fildyn = 'dyn'
     ldisp = .true.
     {% for d in qgrid.dimensions -%}

diff --git a/assets/espresso/ph_grid_restart.j2.in b/assets/espresso/ph_grid_restart.j2.in
@@ -3,7 +3,7 @@
     recover = .true.
     ldisp = .true.
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     fildyn = 'dyn'
     {% for d in qgrid.dimensions -%}
     nq{{loop.index}} = {{d}}

diff --git a/assets/espresso/ph_init_qpoints.j2.in b/assets/espresso/ph_init_qpoints.j2.in
@@ -6,7 +6,7 @@
     ldisp = .true.
     fildyn = 'dyn0'
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     {% for d in qgrid.dimensions -%}
     nq{{loop.index}} = {{d}}
     {% endfor %}

diff --git a/assets/espresso/ph_path.j2.in b/assets/espresso/ph_path.j2.in
@@ -3,7 +3,7 @@
     asr = .true.
     search_sym = .false.
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
 /
 {% for point in qpath -%}
 {% for d in point.coordinates %}{{d}} {% endfor %}

diff --git a/assets/espresso/ph_single_irr_qpt.j2.in b/assets/espresso/ph_single_irr_qpt.j2.in
@@ -1,16 +1,16 @@
 &INPUTPH
     tr2_ph = 1.0d-18
     ldisp = .true.
-    {% raw -%}
+    {% verbatim -%}
     start_q = {{MAP_DATA.qpoint}}
     last_q = {{MAP_DATA.qpoint}}
     start_irr = {{MAP_DATA.irr}}
     last_irr= {{MAP_DATA.irr}}
-    {%- endraw %}
+    {%- endverbatim %}
     recover = .true.
     fildyn = 'dyn'
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_SCRATCH_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_SCRATCH_DIR }}/outdir'{% endverbatim %}
     {% for d in qgrid.dimensions -%}
     nq{{loop.index}} = {{d}}
     {% endfor %}

diff --git a/assets/espresso/pp_density.j2.in b/assets/espresso/pp_density.j2.in
@@ -1,5 +1,5 @@
 &INPUTPP
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
     filplot = 'pp.dat'
     plot_num = 0

diff --git a/assets/espresso/pp_electrostatic_potential.j2.in b/assets/espresso/pp_electrostatic_potential.j2.in
@@ -1,5 +1,5 @@
 &INPUTPP
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
     filplot = 'pp.dat'
     plot_num = 11

diff --git a/assets/espresso/projwfc.j2.in b/assets/espresso/projwfc.j2.in
@@ -1,6 +1,6 @@
 &PROJWFC
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     degauss = 0.01
     deltaE = 0.05
 /
diff --git a/assets/espresso/pw4gww_simple.j2.in b/assets/espresso/pw4gww_simple.j2.in
@@ -1,6 +1,6 @@
 &inputpw4gww
     prefix = '__prefix__'
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     num_nbndv(1) = 16
     num_nbnds = 32
     l_truncated_coulomb = .false.

diff --git a/assets/espresso/pw_bands.j2.in b/assets/espresso/pw_bands.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_dft_j_magn.j2.in b/assets/espresso/pw_bands_dft_j_magn.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_dft_u_magn.j2.in b/assets/espresso/pw_bands_dft_u_magn.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_dft_u_magn_legacy.j2.in b/assets/espresso/pw_bands_dft_u_magn_legacy.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_dft_u_soc.j2.in b/assets/espresso/pw_bands_dft_u_soc.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_dft_u_soc_legacy.j2.in b/assets/espresso/pw_bands_dft_u_soc_legacy.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_dft_v_magn.j2.in b/assets/espresso/pw_bands_dft_v_magn.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_magn.j2.in b/assets/espresso/pw_bands_magn.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_bands_soc.j2.in b/assets/espresso/pw_bands_soc.j2.in
@@ -9,10 +9,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_esm.j2.in b/assets/espresso/pw_esm.j2.in
@@ -6,10 +6,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_esm_relax.j2.in b/assets/espresso/pw_esm_relax.j2.in
@@ -6,10 +6,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 /
 &SYSTEM
     ibrav = {{ input.IBRAV }}

diff --git a/assets/espresso/pw_md.j2.in b/assets/espresso/pw_md.j2.in
@@ -8,10 +8,10 @@
     wf_collect = .true.
     tstress = .true.
     tprnfor = .true.
-    outdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
-    wfcdir = {% raw %}'{{ JOB_WORK_DIR }}/outdir'{% endraw %}
+    outdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
+    wfcdir = {% verbatim %}'{{ JOB_WORK_DIR }}/outdir'{% endverbatim %}
     prefix = '__prefix__'
-    pseudo_dir = {% raw %}'{{ JOB_WORK_DIR }}/pseudo'{% endraw %}
+    pseudo_dir = {% verbatim %}'{{ JOB_WORK_DIR }}/pseudo'{% endverbatim %}
 !   1 a.u. = 0.048378 fs, 20 a.u. ~ 1 fs, dt unit is different in pw.x and cp.x
     dt = 20
     nstep = 100