First commit.

README.md

@@ -1,2 +1,2 @@
 # pyquantms
-A python library with scripts and helpers classes for quantms workflow
+A python library with script and helpers classes for quantms workflow

pyproject.toml

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+[tool.poetry]
+name = "pyquantms"
+version = "0.0.1"
+description = "Python scripts and helpers for the quantMS workflow"
+authors = ["Yasset Perez-Riverol", "Dai Chengxin"]
+
+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"
+
+[tool.poetry.dependencies]
+click = ">=7.0"
+pydantic = ">=1.10,<2"
+python = "^3.7"
+sdrf_pipelines = ">=0.0.26"
+
+[tool.poetry.dev-dependencies]
+pytest = "*"
+
+[tool.black]
+line-length = 88
+target-version = ['py37', 'py38', 'py39', 'py310', 'py311']

requirements.txt

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+click
+sdrf_pipelines

setup.cfg

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+[metadata]
+license_file = LICENSE

setup.py

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+from setuptools import setup
+
+VERSION = "0.0.1"
+
+NAME = "pyquantms"
+LICENSE = "MIT License"
+DESCRIPTION = "Python package with scripts and helpers for the QuantMS workflow"
+AUTHOR = ("Yasset Perez-Riverol, Dai Chengxin")
+AUTHOR_EMAIL = "[email protected]"
+URL = "https://www.github.com/bigbio/pyquantms"
+PROJECT_URLS = {
+    "Documentation": "https://docs.quantms.org/en/latest/",
+    "quantms Workflow": "https://github.com/bigbio/quantms",
+    "Tracker": "https://github.com/bigbio/pyquantms/issues",
+}
+
+KEYWORDS = [
+    "quantms",
+    "Proteomics",
+]
+
+CLASSIFIERS = [
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: Apache Software License",
+    "Operating System :: POSIX :: Linux",
+    "Programming Language :: Python :: 3 :: Only",
+    "Topic :: Scientific/Engineering :: Bio-Informatics",
+    "Development Status :: 5 - Production/Stable",
+]
+
+INSTALL_REQUIRES = ["click", "sdrf_pipelines"]
+PYTHON_REQUIRES = ">=3.7,<4"
+
+with open("README.md", "r") as fh:
+    LONG_DESCRIPTION = fh.read()
+
+setup(
+    name=NAME,
+    version=VERSION,
+    license=LICENSE,
+    description=DESCRIPTION,
+    long_description=LONG_DESCRIPTION,
+    long_description_content_type="text/markdown",
+    author=AUTHOR,
+    author_email=AUTHOR_EMAIL,
+    url=URL,
+    project_urls=PROJECT_URLS,
+    keywords=KEYWORDS,
+    classifiers=CLASSIFIERS,
+    packages=["pyquantms"],
+    include_package_data=True,
+    entry_points={
+        "console_scripts": [
+        ],
+    },
+    install_requires=INSTALL_REQUIRES,
+    python_requires=PYTHON_REQUIRES,
+)