new repository file structure for toml based installation

LewisResearchGroup · Jul 29, 2024 · 7b60a83 · 7b60a83
1 parent dc03236
commit 7b60a83
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Showing 22 changed files with 27 additions and 13 deletions.
diff --git a/MANIFEST.in b/MANIFEST.in
@@ -1,5 +1,2 @@
-include setup.cfg
-include versioneer.py
-include ms_mint/_version.py
-include static/ChEBI-Chem.parquet
-include static/ChEBI-Groups.parquet
+include ms_mint/*.py
+recursive-include ms_mint *
diff --git a/pyproject.toml b/pyproject.toml
@@ -46,16 +46,18 @@ dependencies = [
 dynamic = ["version"]
 
 [project.scripts]
-ms-mint-convert = "scripts.ms_mint_convert:main"
+ms-mint-convert = "ms_mint.scripts.ms_mint_convert:main"
 
-[tool.setuptools]
-packages = { find = { where = ["ms_mint"] } }
-include-package-data = true
+[tool.setuptools.packages.find]
+where = ["src"]
+include = ["ms_mint*"]
 
 [tool.setuptools_scm]
+write_to = "src/ms_mint/_version.py"
 version_scheme = "guess-next-dev"
 local_scheme = "dirty-tag"
 
 [tool.pytest]
 addopts = "--maxfail=1 --disable-warnings"
 testpaths = ["tests"]
+
diff --git a/ms_mint/Chromatogram.py → src/ms_mint/Chromatogram.py b/ms_mint/Chromatogram.py → src/ms_mint/Chromatogram.py
diff --git a/ms_mint/Mint.py → src/ms_mint/Mint.py b/ms_mint/Mint.py → src/ms_mint/Mint.py
diff --git a/ms_mint/MintPlotter.py → src/ms_mint/MintPlotter.py b/ms_mint/MintPlotter.py → src/ms_mint/MintPlotter.py
diff --git a/ms_mint/TargetOptimizer.py → src/ms_mint/TargetOptimizer.py b/ms_mint/TargetOptimizer.py → src/ms_mint/TargetOptimizer.py
diff --git a/ms_mint/__init__.py → src/ms_mint/__init__.py b/ms_mint/__init__.py → src/ms_mint/__init__.py
@@ -1,14 +1,13 @@
 import os
 import logging
 from .Mint import Mint
+from ._version import __version__
 
-try:
-    from .version import __version__
-except ImportError:
-    __version__ = "0.0.0"
+__all__ = ["__version__"]
 
 MINT_DATA_PATH = os.path.abspath(os.path.join(__path__[0], "..", "static"))
 
 Mint.version = __version__
 
 logging.info(Mint.version)
+
diff --git a/src/ms_mint/_version.py b/src/ms_mint/_version.py
@@ -0,0 +1,16 @@
+# file generated by setuptools_scm
+# don't change, don't track in version control
+TYPE_CHECKING = False
+if TYPE_CHECKING:
+    from typing import Tuple, Union
+    VERSION_TUPLE = Tuple[Union[int, str], ...]
+else:
+    VERSION_TUPLE = object
+
+version: str
+__version__: str
+__version_tuple__: VERSION_TUPLE
+version_tuple: VERSION_TUPLE
+
+__version__ = version = '1.0.1.dev0+dirty'
+__version_tuple__ = version_tuple = (1, 0, 1, 'dev0', 'dirty')
diff --git a/ms_mint/filelock.py → src/ms_mint/filelock.py b/ms_mint/filelock.py → src/ms_mint/filelock.py
diff --git a/ms_mint/filters.py → src/ms_mint/filters.py b/ms_mint/filters.py → src/ms_mint/filters.py
diff --git a/ms_mint/io.py → src/ms_mint/io.py b/ms_mint/io.py → src/ms_mint/io.py
diff --git a/ms_mint/matplotlib_tools.py → src/ms_mint/matplotlib_tools.py b/ms_mint/matplotlib_tools.py → src/ms_mint/matplotlib_tools.py
diff --git a/ms_mint/notebook.py → src/ms_mint/notebook.py b/ms_mint/notebook.py → src/ms_mint/notebook.py
diff --git a/ms_mint/pca.py → src/ms_mint/pca.py b/ms_mint/pca.py → src/ms_mint/pca.py
diff --git a/ms_mint/plotly_tools.py → src/ms_mint/plotly_tools.py b/ms_mint/plotly_tools.py → src/ms_mint/plotly_tools.py
diff --git a/ms_mint/processing.py → src/ms_mint/processing.py b/ms_mint/processing.py → src/ms_mint/processing.py
diff --git a/src/ms_mint/scripts/__init__.py b/src/ms_mint/scripts/__init__.py
diff --git a/scripts/ms-mint-convert.py → src/ms_mint/scripts/ms_mint_convert.py b/scripts/ms-mint-convert.py → src/ms_mint/scripts/ms_mint_convert.py
diff --git a/ms_mint/standards.py → src/ms_mint/standards.py b/ms_mint/standards.py → src/ms_mint/standards.py
diff --git a/ms_mint/targets.py → src/ms_mint/targets.py b/ms_mint/targets.py → src/ms_mint/targets.py
diff --git a/ms_mint/tools.py → src/ms_mint/tools.py b/ms_mint/tools.py → src/ms_mint/tools.py
diff --git a/ms_mint/version.py → src/ms_mint/version.py b/ms_mint/version.py → src/ms_mint/version.py