perturbopy

library0.7.2pypypiunverified

Suite of Python scripts for Perturbo (first-principles electron-phonon coupling) testing and postprocessing. Version 0.7.2, requires Python >=3.7.12. Development appears slow/infrequent.

ai-ml data

pip install perturbopy

package ↗homepage ↗

INSTALL

IMPORT

SIG · PERTURBOPY

perturbopy

ai-mlpythonv0.7.2

Install

13.1s avg

Import

—

Disk

355MB

Pass rate

9/ 10

Env Coverage9 / 10

glibc

3.9–3.13

musl

3.9–3.13

Install & Compatibility

Where this runs

tested against v0.7.2 · pip install

no network on importno background threads

Install × environment matrix

Each cell = how many times install + import succeeded across repeated harness runs. Partial = flaky.
glibc = Debian/Ubuntu slim · musl = Alpine Linux

musl

glibc

py 3.10

✓ —

✓ 12.9s

py 3.11

✓ —

✓ 12.4s

py 3.12

✓ —

✓ 12.6s

py 3.13

✓ —

✓ 12.8s

py 3.9

✕ build_error

✓ 14.7s

355MB installed

● package 355MB

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

PerturboCalc

✓ from perturbopy import PerturboCalc

✗ from perturbopy.calculator import PerturboCalc

Initialize a Perturbo calculation from a YAML input file, run it, and print available result keys.

from perturbopy.calculator import PerturboCalc calc = PerturboCalc.from_yaml('perturbo_input.yaml') calc.run() results = calc.results print(results.keys())

Debug

Known issues

gotchaTop-level imports of classes/functions may fail. Always import from specific submodules (e.g., perturbopy.calculator, perturbopy.io_utils).

fix

Use correct submodule paths: from perturbopy.calculator import PerturboCalc

affects: all

deprecatedSome plotting functions (e.g., plot_bands) are deprecated in favor of more flexible methods. Check documentation for latest API.

fix

Use io_utils to load data and matplotlib directly for plotting.

affects: <=0.7.2

gotchaThe library interacts with the external 'Perturbo' binary (C++). Ensure Perturbo is installed and in PATH. perturbopy alone will not compute anything.

fix

Install Perturbo from https://perturbo.epfl.ch or build from source.

affects: all

Upgrade

Version history

0.7.2latest on PyPI · released Sep 9, 2025

Audit

Dependencies

h5pyrequiredReading HDF5 output from Perturbo

numpyrequiredNumerical operations

matplotlibrequiredPlotting

pandasrequiredData handling

pytablesoptionalReading/writing HDF5 with pandas

Agent activity

2 hits · last 30 days

node

Resources

packagehttps://pypi.org/project/perturbopy/ ↗

homepagehttps://perturbo.lassp.cornell.edu ↗