Merge pull request #3 from OpenDrugDiscovery/package-changes

Better Packaging
valence-labs · Sep 25, 2023 · 56834ee · 56834ee
2 parents 8d0cbc2 + 53c15ac
commit 56834ee
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Showing 23 changed files with 2 additions and 2 deletions.
diff --git a/pyproject.toml b/pyproject.toml
@@ -19,7 +19,7 @@ fallback_version = "dev"
 profile = "black"
 
 [tool.setuptools.packages.find]
-where = ["."]
+where = ["src"]
 include = ["openqdc", "openqdc.*"]
 exclude = []
 namespaces = true
@@ -59,4 +59,4 @@ ignore = ["E731"]
 
 [tool.ruff.per-file-ignores]
 "__init__.py" = ["F403"]
-"openqdc/raws/config_factory.py" = ["E501"]
+"**/config_factory.py" = ["E501"]
diff --git a/openqdc/datasets/ani.py → src/openqdc/datasets/ani.py b/openqdc/datasets/ani.py → src/openqdc/datasets/ani.py
diff --git a/openqdc/datasets/base.py → src/openqdc/datasets/base.py b/openqdc/datasets/base.py → src/openqdc/datasets/base.py
diff --git a/openqdc/datasets/comp6.py → src/openqdc/datasets/comp6.py b/openqdc/datasets/comp6.py → src/openqdc/datasets/comp6.py
diff --git a/openqdc/datasets/gdml.py → src/openqdc/datasets/gdml.py b/openqdc/datasets/gdml.py → src/openqdc/datasets/gdml.py
diff --git a/openqdc/datasets/geom.py → src/openqdc/datasets/geom.py b/openqdc/datasets/geom.py → src/openqdc/datasets/geom.py
diff --git a/openqdc/datasets/iso_17.py → src/openqdc/datasets/iso_17.py b/openqdc/datasets/iso_17.py → src/openqdc/datasets/iso_17.py
diff --git a/openqdc/datasets/molecule3d.py → src/openqdc/datasets/molecule3d.py b/openqdc/datasets/molecule3d.py → src/openqdc/datasets/molecule3d.py
diff --git a/openqdc/datasets/nabladft.py → src/openqdc/datasets/nabladft.py b/openqdc/datasets/nabladft.py → src/openqdc/datasets/nabladft.py
diff --git a/openqdc/datasets/orbnet_denali.py → src/openqdc/datasets/orbnet_denali.py b/openqdc/datasets/orbnet_denali.py → src/openqdc/datasets/orbnet_denali.py
diff --git a/openqdc/datasets/pcqm.py → src/openqdc/datasets/pcqm.py b/openqdc/datasets/pcqm.py → src/openqdc/datasets/pcqm.py
diff --git a/openqdc/datasets/qm7x.py → src/openqdc/datasets/qm7x.py b/openqdc/datasets/qm7x.py → src/openqdc/datasets/qm7x.py
diff --git a/openqdc/datasets/qmugs.py → src/openqdc/datasets/qmugs.py b/openqdc/datasets/qmugs.py → src/openqdc/datasets/qmugs.py
diff --git a/openqdc/datasets/sn2_rxn.py → src/openqdc/datasets/sn2_rxn.py b/openqdc/datasets/sn2_rxn.py → src/openqdc/datasets/sn2_rxn.py
diff --git a/openqdc/datasets/solvated_peptides.py → src/openqdc/datasets/solvated_peptides.py b/openqdc/datasets/solvated_peptides.py → src/openqdc/datasets/solvated_peptides.py
diff --git a/openqdc/datasets/spice.py → src/openqdc/datasets/spice.py b/openqdc/datasets/spice.py → src/openqdc/datasets/spice.py
diff --git a/openqdc/datasets/waterclusters3_30.py → src/openqdc/datasets/waterclusters3_30.py b/openqdc/datasets/waterclusters3_30.py → src/openqdc/datasets/waterclusters3_30.py
diff --git a/openqdc/raws/config_factory.py → src/openqdc/raws/config_factory.py b/openqdc/raws/config_factory.py → src/openqdc/raws/config_factory.py
diff --git a/openqdc/raws/fetch.py → src/openqdc/raws/fetch.py b/openqdc/raws/fetch.py → src/openqdc/raws/fetch.py
diff --git a/openqdc/utils/__init__.py → src/openqdc/utils/__init__.py b/openqdc/utils/__init__.py → src/openqdc/utils/__init__.py
diff --git a/openqdc/utils/constants.py → src/openqdc/utils/constants.py b/openqdc/utils/constants.py → src/openqdc/utils/constants.py
diff --git a/openqdc/utils/io.py → src/openqdc/utils/io.py b/openqdc/utils/io.py → src/openqdc/utils/io.py
diff --git a/openqdc/utils/molecule.py → src/openqdc/utils/molecule.py b/openqdc/utils/molecule.py → src/openqdc/utils/molecule.py