ms2pip
Advanced tools
| 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() |
+0
-2
@@ -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 @@ |
+1
-1
| 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 |
+1
-1
@@ -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" |
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