Merge pull request #3 from bigbio/dev

debugging

.github/workflows/python-publish.yml

@@ -37,3 +37,4 @@ jobs:
       with:
         user: __token__
         password: ${{ secrets.PYPI_API_TOKEN }}
+        verbose: true

pyproject.toml

@@ -0,0 +1,31 @@
+[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"
+pyopenms = ">=2.6.0"
+ms2rescore = ">=3.0.2"
+psm-utils = "==0.8.0"
+pandas = ">=1.0.0"
+
+[tool.poetry.dev-dependencies]
+pytest = "*"
+
+[tool.pytest.ini_options]
+minversion = "6.0"
+addopts = "-ra -q"
+testpaths = ["tests", ]
+
+[tool.black]
+line-length = 88
+target-version = ['py37', 'py38', 'py39', 'py310', 'py311']