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ms2pip

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ms2pip - npm Package Compare versions

Comparing version
4.1.1
to
4.1.2
+1
-1
ms2pip.egg-info/PKG-INFO
Metadata-Version: 2.4
Name: ms2pip
Version: 4.1.1
Version: 4.1.2
Summary: MS2PIP: Accurate and versatile peptide fragmentation spectrum prediction.

@@ -5,0 +5,0 @@ Author: Sven Degroeve, Ana Sílvia C. Silva

# isort: skip_file
"""MS2PIP: Accurate and versatile peptide fragmentation spectrum prediction."""
__version__ = "4.1.1"
__version__ = "4.1.2"

@@ -6,0 +6,0 @@ from warnings import filterwarnings

@@ -7,4 +7,4 @@ import logging

import click
import rich
from psm_utils.io import READERS
from rich.console import Console
from rich.logging import RichHandler

@@ -21,3 +21,2 @@ from werkzeug.utils import secure_filename

console = Console()
logger = logging.getLogger(__name__)

@@ -57,6 +56,6 @@

handlers=[
RichHandler(rich_tracebacks=True, console=console, show_level=True, show_path=False)
RichHandler(rich_tracebacks=True, show_level=True, show_path=False)
],
)
console.print(build_credits())
rich.print(build_credits())

@@ -84,3 +83,3 @@

# Write output
console.print(build_prediction_table(predicted_spectrum))
rich.print(build_prediction_table(predicted_spectrum))
write_spectra(output_name, [result], output_format)

@@ -87,0 +86,0 @@ if plot:

@@ -99,3 +99,7 @@ """Utilities for handling XGBoost model files within the MS²PIP prediction framework."""

logger.info(f"Downloading {model} to {filename}...")
urllib.request.urlretrieve(f"https://zenodo.org/records/13270668/files/{model}", filename)
try:
urllib.request.urlretrieve(f"https://genesis.ugent.be/uvpublicdata/ms2pip/{model}", filename)
except Exception:
logger.warning("Falling back to Zenodo for model downloads.")
urllib.request.urlretrieve(f"https://zenodo.org/records/13270668/files/{model}", filename)
if not _check_model_integrity(filename, model_hash):

@@ -102,0 +106,0 @@ raise InvalidXGBoostModelError()

@@ -199,3 +199,2 @@ #!/usr/bin/env python

):
logging.disable(logging.CRITICAL)
yield predict_batch(

@@ -209,3 +208,2 @@ search_space.filter_psms_by_mz(PSMList(psm_list=list(batch))),

)
logging.disable(logging.NOTSET)

@@ -212,0 +210,0 @@

Metadata-Version: 2.4
Name: ms2pip
Version: 4.1.1
Version: 4.1.2
Summary: MS2PIP: Accurate and versatile peptide fragmentation spectrum prediction.

@@ -5,0 +5,0 @@ Author: Sven Degroeve, Ana Sílvia C. Silva

@@ -97,5 +97,5 @@ [project]

# Prevent building from source for packages with complex C/C++ dependencies
environment = { PIP_ONLY_BINARY = "pyarrow,pandas,numpy,lxml,xgboost" }
environment = { PIP_ONLY_BINARY = "pyarrow,pandas,numpy,lxml,xgboost,scipy" }
[tool.cibuildwheel.macos]
before-all = "brew install libomp"