Source code for aiidalab.environment

"""App environment specification

The specification is used to describe a reproducible environment for a
specific app, similar to the Reproducible Environment Specification (REES) [1]


The following configuration files are recognized with the order of precedence
matching the order shown here:

.. glossary::

        Requirements listed as part of the [options]/install_requires field are
        parsed as pip-installable Python requirements for this app.

        Requirements listed within this file are parsed as pip-installable
        Python requirements for this app unless already parsed from the
        setup.cfg file.

from __future__ import annotations

from configparser import ConfigParser
from dataclasses import dataclass, field
from pathlib import Path
from typing import Any, Generator

__all__ = [

[docs]@dataclass class Environment: """App environment specification. This dataclass contains the specification of an app environment and can be used to scan an existing environment configuration from a given path and to detect whether a given environment is meeting the specification. """ python_requirements: list[str] = field(default_factory=list) _FILES = ("requirements.txt",)
[docs] @staticmethod def _scan(path: Path) -> Generator[Any, None, None]: def _parse_reqs(requirements: str) -> Generator[str, None, None]: for line in (line.strip() for line in requirements.splitlines()): if line and not line.startswith("#"): yield line def _parse_setup_cfg(setup_cfg): # type: ignore cfg = ConfigParser() cfg.read_string(setup_cfg) return cfg["options"].get("install_requires", None) # Parse the setup.cfg file (if present). try: yield "python_requirements", list( _parse_reqs(_parse_setup_cfg(path.joinpath("setup.cfg").read_text())) ) except (FileNotFoundError, KeyError): # Parse the requirements.txt file (if present). try: yield "python_requirements", list( _parse_reqs(path.joinpath("requirements.txt").read_text()) ) except FileNotFoundError: pass
[docs] @classmethod def scan(cls, root: Path) -> Environment: """Scan the root path and determine the environment specification.""" return cls(**dict(cls._scan(root)))