From 4f1673d803f33364d300d16436c01b94505bbac6 Mon Sep 17 00:00:00 2001 From: Atsushi Togo Date: Sun, 8 Mar 2026 17:12:51 +0900 Subject: [PATCH] v0.13.1, rename cmd_root.py to velph_cmd_root.py --- doc/changelog.md | 5 +++++ doc/conf.py | 2 +- pyproject.toml | 2 +- src/phelel/velph/cli/el_bands/cmd_el_bands.py | 2 +- src/phelel/velph/cli/generate/cmd_generate.py | 2 +- src/phelel/velph/cli/init/cmd_init.py | 2 +- src/phelel/velph/cli/nac/cmd_nac.py | 2 +- src/phelel/velph/cli/ph_bands/cmd_ph_bands.py | 2 +- src/phelel/velph/cli/ph_selfenergy/cmd_ph_selfenergy.py | 2 +- src/phelel/velph/cli/phelel/cmd_phelel.py | 2 +- src/phelel/velph/cli/phono3py/cmd_phono3py.py | 2 +- src/phelel/velph/cli/phonopy/cmd_phonopy.py | 2 +- src/phelel/velph/cli/relax/cmd_relax.py | 2 +- src/phelel/velph/cli/selfenergy/cmd_selfenergy.py | 2 +- src/phelel/velph/cli/transport/cmd_transport.py | 2 +- src/phelel/velph/cli/{cmd_root.py => velph_cmd_root.py} | 0 src/phelel/version.py | 2 +- 17 files changed, 20 insertions(+), 15 deletions(-) rename src/phelel/velph/cli/{cmd_root.py => velph_cmd_root.py} (100%) diff --git a/doc/changelog.md b/doc/changelog.md index 4b02be0..6e8f5ae 100644 --- a/doc/changelog.md +++ b/doc/changelog.md @@ -2,6 +2,11 @@ # Change Log +# Mar-8-2026: Version 0.13.1 + +- Rename `cmd_root.py` to `velph_cmd_root.py` for safer module import when + calling velph command. + # Mar-6-2026: Version 0.13.0 - Maintenance release diff --git a/doc/conf.py b/doc/conf.py index e1db2b1..0c3e25c 100644 --- a/doc/conf.py +++ b/doc/conf.py @@ -11,7 +11,7 @@ author = "Atsushi Togo" version = "0.13" -release = "0.13.0" +release = "0.13.1" # -- General configuration --------------------------------------------------- # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration diff --git a/pyproject.toml b/pyproject.toml index 0f8ac75..483d551 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ license = {file = "LICENSE"} [project.scripts] phelel = "phelel.scripts.phelel:run" phelel-load = "phelel.scripts.phelel_load:run" -velph = "phelel.velph.cli.cmd_root:cmd_root" +velph = "phelel.velph.cli.velph_cmd_root:cmd_root" [tool.setuptools.dynamic] version = { attr = "phelel.version.__version__" } diff --git a/src/phelel/velph/cli/el_bands/cmd_el_bands.py b/src/phelel/velph/cli/el_bands/cmd_el_bands.py index 7099fc9..a4766cc 100644 --- a/src/phelel/velph/cli/el_bands/cmd_el_bands.py +++ b/src/phelel/velph/cli/el_bands/cmd_el_bands.py @@ -6,9 +6,9 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.el_bands.generate import write_input_files from phelel.velph.cli.el_bands.plot import plot_el_bandstructures +from phelel.velph.cli.velph_cmd_root import cmd_root from phelel.velph.utils.plot_eigenvalues import ( cmd_plot_eigenvalues, eigenvalue_plot_options, diff --git a/src/phelel/velph/cli/generate/cmd_generate.py b/src/phelel/velph/cli/generate/cmd_generate.py index e069012..ce0a33e 100644 --- a/src/phelel/velph/cli/generate/cmd_generate.py +++ b/src/phelel/velph/cli/generate/cmd_generate.py @@ -9,7 +9,7 @@ from phonopy.interface.calculator import write_crystal_structure from phonopy.structure.atoms import parse_cell_dict -from phelel.velph.cli.cmd_root import cmd_root +from phelel.velph.cli.velph_cmd_root import cmd_root # diff --git a/src/phelel/velph/cli/init/cmd_init.py b/src/phelel/velph/cli/init/cmd_init.py index f238ce6..75412cd 100644 --- a/src/phelel/velph/cli/init/cmd_init.py +++ b/src/phelel/velph/cli/init/cmd_init.py @@ -8,7 +8,6 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.init.init import run_init from phelel.velph.cli.utils import ( DefaultCellChoices, @@ -18,6 +17,7 @@ VelphInitOptions, VelphInitParams, ) +from phelel.velph.cli.velph_cmd_root import cmd_root from phelel.velph.utils.vasp import VaspPotcar diff --git a/src/phelel/velph/cli/nac/cmd_nac.py b/src/phelel/velph/cli/nac/cmd_nac.py index e9e1a75..5f70ec4 100644 --- a/src/phelel/velph/cli/nac/cmd_nac.py +++ b/src/phelel/velph/cli/nac/cmd_nac.py @@ -6,8 +6,8 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.nac.generate import write_input_files +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("nac") diff --git a/src/phelel/velph/cli/ph_bands/cmd_ph_bands.py b/src/phelel/velph/cli/ph_bands/cmd_ph_bands.py index d53056c..420231f 100644 --- a/src/phelel/velph/cli/ph_bands/cmd_ph_bands.py +++ b/src/phelel/velph/cli/ph_bands/cmd_ph_bands.py @@ -6,11 +6,11 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.ph_bands.generate import ( write_input_files as write_input_files_ph_bandstructures, ) from phelel.velph.cli.ph_bands.plot import plot_ph_bandstructures +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("ph_bands") diff --git a/src/phelel/velph/cli/ph_selfenergy/cmd_ph_selfenergy.py b/src/phelel/velph/cli/ph_selfenergy/cmd_ph_selfenergy.py index 2539c72..e74c85a 100644 --- a/src/phelel/velph/cli/ph_selfenergy/cmd_ph_selfenergy.py +++ b/src/phelel/velph/cli/ph_selfenergy/cmd_ph_selfenergy.py @@ -4,10 +4,10 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.ph_selfenergy.dump_phono3py import dump_phono3py from phelel.velph.cli.selfenergy.generate import write_selfenergy_input_files from phelel.velph.cli.utils import check_fft +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("ph_selfenergy") diff --git a/src/phelel/velph/cli/phelel/cmd_phelel.py b/src/phelel/velph/cli/phelel/cmd_phelel.py index 1abaf8a..641c839 100644 --- a/src/phelel/velph/cli/phelel/cmd_phelel.py +++ b/src/phelel/velph/cli/phelel/cmd_phelel.py @@ -9,11 +9,11 @@ import phelel from phelel.cui.phelel_script import finalize_phelel -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.phelel.differentiate import run_derivatives from phelel.velph.cli.phelel.generate import write_supercell_input_files from phelel.velph.cli.phelel.init import run_init from phelel.velph.cli.phelel.phonopy import create_phonopy_yaml +from phelel.velph.cli.velph_cmd_root import cmd_root from phelel.velph.utils.vasp import CutoffToFFTMesh diff --git a/src/phelel/velph/cli/phono3py/cmd_phono3py.py b/src/phelel/velph/cli/phono3py/cmd_phono3py.py index 3bfe044..8f00102 100644 --- a/src/phelel/velph/cli/phono3py/cmd_phono3py.py +++ b/src/phelel/velph/cli/phono3py/cmd_phono3py.py @@ -8,9 +8,9 @@ import click import tomli -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.phono3py.generate import write_supercell_input_files from phelel.velph.cli.phono3py.init import run_init +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("phono3py") diff --git a/src/phelel/velph/cli/phonopy/cmd_phonopy.py b/src/phelel/velph/cli/phonopy/cmd_phonopy.py index c1d3a8c..8dbe62e 100644 --- a/src/phelel/velph/cli/phonopy/cmd_phonopy.py +++ b/src/phelel/velph/cli/phonopy/cmd_phonopy.py @@ -7,9 +7,9 @@ import click import tomli -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.phonopy.generate import write_supercell_input_files from phelel.velph.cli.phonopy.init import run_init +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("phonopy") diff --git a/src/phelel/velph/cli/relax/cmd_relax.py b/src/phelel/velph/cli/relax/cmd_relax.py index 4488f6e..890ec6b 100644 --- a/src/phelel/velph/cli/relax/cmd_relax.py +++ b/src/phelel/velph/cli/relax/cmd_relax.py @@ -6,8 +6,8 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.relax.generate import write_input_files +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("relax") diff --git a/src/phelel/velph/cli/selfenergy/cmd_selfenergy.py b/src/phelel/velph/cli/selfenergy/cmd_selfenergy.py index 72a653a..9765a0e 100644 --- a/src/phelel/velph/cli/selfenergy/cmd_selfenergy.py +++ b/src/phelel/velph/cli/selfenergy/cmd_selfenergy.py @@ -4,9 +4,9 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.selfenergy.generate import write_input_files from phelel.velph.cli.utils import check_fft +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("selfenergy") diff --git a/src/phelel/velph/cli/transport/cmd_transport.py b/src/phelel/velph/cli/transport/cmd_transport.py index d61846b..6a7a66c 100644 --- a/src/phelel/velph/cli/transport/cmd_transport.py +++ b/src/phelel/velph/cli/transport/cmd_transport.py @@ -4,9 +4,9 @@ import click -from phelel.velph.cli.cmd_root import cmd_root from phelel.velph.cli.transport.generate import write_input_files from phelel.velph.cli.utils import check_fft +from phelel.velph.cli.velph_cmd_root import cmd_root @cmd_root.group("transport") diff --git a/src/phelel/velph/cli/cmd_root.py b/src/phelel/velph/cli/velph_cmd_root.py similarity index 100% rename from src/phelel/velph/cli/cmd_root.py rename to src/phelel/velph/cli/velph_cmd_root.py diff --git a/src/phelel/version.py b/src/phelel/version.py index cd750a6..85d7b11 100644 --- a/src/phelel/version.py +++ b/src/phelel/version.py @@ -1,3 +1,3 @@ """Version number.""" -__version__ = "0.13.0" +__version__ = "0.13.1"