diff --git a/pyproject.toml b/pyproject.toml index 5061854..e589cf3 100644 --- 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 b/src/openqdc/datasets/ani.py similarity index 100% rename from openqdc/datasets/ani.py rename to src/openqdc/datasets/ani.py diff --git a/openqdc/datasets/base.py b/src/openqdc/datasets/base.py similarity index 100% rename from openqdc/datasets/base.py rename to src/openqdc/datasets/base.py diff --git a/openqdc/datasets/comp6.py b/src/openqdc/datasets/comp6.py similarity index 100% rename from openqdc/datasets/comp6.py rename to src/openqdc/datasets/comp6.py diff --git a/openqdc/datasets/gdml.py b/src/openqdc/datasets/gdml.py similarity index 100% rename from openqdc/datasets/gdml.py rename to src/openqdc/datasets/gdml.py diff --git a/openqdc/datasets/geom.py b/src/openqdc/datasets/geom.py similarity index 100% rename from openqdc/datasets/geom.py rename to src/openqdc/datasets/geom.py diff --git a/openqdc/datasets/iso_17.py b/src/openqdc/datasets/iso_17.py similarity index 100% rename from openqdc/datasets/iso_17.py rename to src/openqdc/datasets/iso_17.py diff --git a/openqdc/datasets/molecule3d.py b/src/openqdc/datasets/molecule3d.py similarity index 100% rename from openqdc/datasets/molecule3d.py rename to src/openqdc/datasets/molecule3d.py diff --git a/openqdc/datasets/nabladft.py b/src/openqdc/datasets/nabladft.py similarity index 100% rename from openqdc/datasets/nabladft.py rename to src/openqdc/datasets/nabladft.py diff --git a/openqdc/datasets/orbnet_denali.py b/src/openqdc/datasets/orbnet_denali.py similarity index 100% rename from openqdc/datasets/orbnet_denali.py rename to src/openqdc/datasets/orbnet_denali.py diff --git a/openqdc/datasets/pcqm.py b/src/openqdc/datasets/pcqm.py similarity index 100% rename from openqdc/datasets/pcqm.py rename to src/openqdc/datasets/pcqm.py diff --git a/openqdc/datasets/qm7x.py b/src/openqdc/datasets/qm7x.py similarity index 100% rename from openqdc/datasets/qm7x.py rename to src/openqdc/datasets/qm7x.py diff --git a/openqdc/datasets/qmugs.py b/src/openqdc/datasets/qmugs.py similarity index 100% rename from openqdc/datasets/qmugs.py rename to src/openqdc/datasets/qmugs.py diff --git a/openqdc/datasets/sn2_rxn.py b/src/openqdc/datasets/sn2_rxn.py similarity index 100% rename from openqdc/datasets/sn2_rxn.py rename to src/openqdc/datasets/sn2_rxn.py diff --git a/openqdc/datasets/solvated_peptides.py b/src/openqdc/datasets/solvated_peptides.py similarity index 100% rename from openqdc/datasets/solvated_peptides.py rename to src/openqdc/datasets/solvated_peptides.py diff --git a/openqdc/datasets/spice.py b/src/openqdc/datasets/spice.py similarity index 100% rename from openqdc/datasets/spice.py rename to src/openqdc/datasets/spice.py diff --git a/openqdc/datasets/waterclusters3_30.py b/src/openqdc/datasets/waterclusters3_30.py similarity index 100% rename from openqdc/datasets/waterclusters3_30.py rename to src/openqdc/datasets/waterclusters3_30.py diff --git a/openqdc/raws/config_factory.py b/src/openqdc/raws/config_factory.py similarity index 100% rename from openqdc/raws/config_factory.py rename to src/openqdc/raws/config_factory.py diff --git a/openqdc/raws/fetch.py b/src/openqdc/raws/fetch.py similarity index 100% rename from openqdc/raws/fetch.py rename to src/openqdc/raws/fetch.py diff --git a/openqdc/utils/__init__.py b/src/openqdc/utils/__init__.py similarity index 100% rename from openqdc/utils/__init__.py rename to src/openqdc/utils/__init__.py diff --git a/openqdc/utils/constants.py b/src/openqdc/utils/constants.py similarity index 100% rename from openqdc/utils/constants.py rename to src/openqdc/utils/constants.py diff --git a/openqdc/utils/io.py b/src/openqdc/utils/io.py similarity index 100% rename from openqdc/utils/io.py rename to src/openqdc/utils/io.py diff --git a/openqdc/utils/molecule.py b/src/openqdc/utils/molecule.py similarity index 100% rename from openqdc/utils/molecule.py rename to src/openqdc/utils/molecule.py