MAINT: Renamed "scripts" to "staging" and added a README file

libAtoms · Jan 15, 2024 · 256672d · 256672d
1 parent 23d8827
commit 256672d
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Showing 28 changed files with 10 additions and 5 deletions.
diff --git a/matscipy/cli/fracture_mechanics/sinclair_continuation.py b/matscipy/cli/fracture_mechanics/sinclair_continuation.py
@@ -41,7 +41,7 @@
 def main():
     print(matscipy.__file__)
 
-    sys.path.insert(0, '../../../scripts/fracture_mechanics')
+    sys.path.insert(0, '../../../staging/fracture_mechanics')
 
     import params
 

diff --git a/matscipy/cli/fracture_mechanics/sinclair_crack.py b/matscipy/cli/fracture_mechanics/sinclair_crack.py
@@ -35,7 +35,7 @@
 import sys
 
 def main():
-    sys.path.insert(0, '../../../scripts/fracture_mechanics')
+    sys.path.insert(0, '../../../staging/fracture_mechanics')
     import params
 
     calc = parameter('calc')

diff --git a/pyproject.toml b/pyproject.toml
@@ -60,11 +60,11 @@ cli = [
 #            ],
 #        },
 #        ...
-# resulted in optional CLI scripts installed only if the extra [cli] had been
+# resulted in optional CLI staging installed only if the extra [cli] had been
 # explicitly requested, e.g. via
 #     pip install matscipy[cli]
 # (see https://github.com/libAtoms/matscipy/blob/92dd490a3c2c71edc5d0018487afbee5f2273730/setup.py#L302-L319)
-# With pyproject.toml and meson as build system, the console scripts are
+# With pyproject.toml and meson as build system, the console staging are
 # always installed, even if they are specified as extra-dependent as done here.
 
 # Generic

diff --git a/staging/README.md b/staging/README.md
@@ -0,0 +1,5 @@
+Staging area
+============
+
+This directory contains command-line scripts that are not yet mature enough for inclusion into the installable
+matscipy CLI.
diff --git a/scripts/ase2ovito.py → staging/ase2ovito.py b/scripts/ase2ovito.py → staging/ase2ovito.py
diff --git a/...pts/fracture_mechanics/cohesive_stress.py → ...ing/fracture_mechanics/cohesive_stress.py b/...pts/fracture_mechanics/cohesive_stress.py → ...ing/fracture_mechanics/cohesive_stress.py
diff --git a/scripts/fracture_mechanics/energy_barrier.py → staging/fracture_mechanics/energy_barrier.py b/scripts/fracture_mechanics/energy_barrier.py → staging/fracture_mechanics/energy_barrier.py
diff --git a/...ture_mechanics/energy_barrier_multiple.py → ...ture_mechanics/energy_barrier_multiple.py b/...ture_mechanics/energy_barrier_multiple.py → ...ture_mechanics/energy_barrier_multiple.py
diff --git a/...pts/fracture_mechanics/eval_J_integral.py → ...ing/fracture_mechanics/eval_J_integral.py b/...pts/fracture_mechanics/eval_J_integral.py → ...ing/fracture_mechanics/eval_J_integral.py
diff --git a/...fracture_mechanics/eval_energy_barrier.py → ...fracture_mechanics/eval_energy_barrier.py b/...fracture_mechanics/eval_energy_barrier.py → ...fracture_mechanics/eval_energy_barrier.py
diff --git a/...acture_mechanics/make_crack_thin_strip.py → ...acture_mechanics/make_crack_thin_strip.py b/...acture_mechanics/make_crack_thin_strip.py → ...acture_mechanics/make_crack_thin_strip.py
diff --git a/scripts/fracture_mechanics/neb_crack_tip.py → staging/fracture_mechanics/neb_crack_tip.py b/scripts/fracture_mechanics/neb_crack_tip.py → staging/fracture_mechanics/neb_crack_tip.py
diff --git a/.../fracture_mechanics/optimize_crack_tip.py → .../fracture_mechanics/optimize_crack_tip.py b/.../fracture_mechanics/optimize_crack_tip.py → .../fracture_mechanics/optimize_crack_tip.py
diff --git a/...pts/fracture_mechanics/parallel_NCFlex.py → ...ing/fracture_mechanics/parallel_NCFlex.py b/...pts/fracture_mechanics/parallel_NCFlex.py → ...ing/fracture_mechanics/parallel_NCFlex.py
diff --git a/...hanics/parallel_NCFlex_seperate_curves.py → ...hanics/parallel_NCFlex_seperate_curves.py b/...hanics/parallel_NCFlex_seperate_curves.py → ...hanics/parallel_NCFlex_seperate_curves.py
diff --git a/...ture_mechanics/parallel_mode_II_NCFlex.py → ...ture_mechanics/parallel_mode_II_NCFlex.py b/...ture_mechanics/parallel_mode_II_NCFlex.py → ...ture_mechanics/parallel_mode_II_NCFlex.py
diff --git a/...mechanics/parallel_rI_convergence_test.py → ...mechanics/parallel_rI_convergence_test.py b/...mechanics/parallel_rI_convergence_test.py → ...mechanics/parallel_rI_convergence_test.py
diff --git a/...allel_rI_convergence_test_post_process.py → ...allel_rI_convergence_test_post_process.py b/...allel_rI_convergence_test_post_process.py → ...allel_rI_convergence_test_post_process.py
diff --git a/...racture_mechanics/plot_cohesive_stress.py → ...racture_mechanics/plot_cohesive_stress.py b/...racture_mechanics/plot_cohesive_stress.py → ...racture_mechanics/plot_cohesive_stress.py
diff --git a/scripts/fracture_mechanics/plot_two_bonds.py → staging/fracture_mechanics/plot_two_bonds.py b/scripts/fracture_mechanics/plot_two_bonds.py → staging/fracture_mechanics/plot_two_bonds.py
diff --git a/scripts/fracture_mechanics/quartz_crack.py → staging/fracture_mechanics/quartz_crack.py b/scripts/fracture_mechanics/quartz_crack.py → staging/fracture_mechanics/quartz_crack.py
diff --git a/...racture_mechanics/run_crack_thin_strip.py → ...racture_mechanics/run_crack_thin_strip.py b/...racture_mechanics/run_crack_thin_strip.py → ...racture_mechanics/run_crack_thin_strip.py
diff --git a/...ture_mechanics/run_ideal_brittle_solid.py → ...ture_mechanics/run_ideal_brittle_solid.py b/...ture_mechanics/run_ideal_brittle_solid.py → ...ture_mechanics/run_ideal_brittle_solid.py
diff --git a/...pts/fracture_mechanics/sinclair_approx.py → ...ing/fracture_mechanics/sinclair_approx.py b/...pts/fracture_mechanics/sinclair_approx.py → ...ing/fracture_mechanics/sinclair_approx.py
diff --git a/scripts/fracture_mechanics/sinclair_plot.py → staging/fracture_mechanics/sinclair_plot.py b/scripts/fracture_mechanics/sinclair_plot.py → staging/fracture_mechanics/sinclair_plot.py
diff --git a/scripts/manybody_potentials.ipynb → staging/manybody_potentials.ipynb b/scripts/manybody_potentials.ipynb → staging/manybody_potentials.ipynb
diff --git a/scripts/openovito.py → staging/openovito.py b/scripts/openovito.py → staging/openovito.py
diff --git a/tests/test_electrochemistry_cli.py b/tests/test_electrochemistry_cli.py
@@ -58,7 +58,7 @@ def setUp(self):
         self.ref_lammps = ase.io.read(
             os.path.join(self.data_path,'NaCl.lammps'),format='lammps-data')
 
-        # command line interface scripts are expected to reside within
+        # command line interface staging are expected to reside within
         # ../matscipy/cli/electrochemistry relative to this test directory
         self.pnp_cli = os.path.join(
             self.test_path,os.path.pardir,'matscipy','cli','electrochemistry','poisson_nernst_planck_solver.py')