migrate to src layout to enable install by pip

Author: esoteric-ephemera

.gitignore

@@ -53,6 +53,6 @@ nosetests.xml
 dataset_prep.log
 
 # Datasets
-matminer/datasets/*.json.gz
-matminer/utils/data_files/mp_transport/transport_database.csv
+src/matminer/datasets/*.json.gz
+src/matminer/utils/data_files/mp_transport/transport_database.csv
 **/test_dataset.csv

pyproject.toml

@@ -1,12 +1,25 @@
+
 [build-system]
-requires = ["setuptools>=64", "setuptools-scm>=8"]
+requires = ["setuptools>=80.0.0","setuptools-scm>=8"]
 build-backend = "setuptools.build_meta"
 
+[tool.setuptools_scm]
+root = "."
+relative_to = "__file__"
+
+[tool.setuptools]
+include-package-data = true
+
+[tool.setuptools.packages.find]
+where = ["src"]
+exclude = ["tests", "docs", "docs_rst", "dev_scripts"]
+include = ["matminer*"]
+
 [project]
 name = "matminer"
 description = "matminer is a library that contains tools for data mining in Materials Science"
 readme = "README.md"
-license = {text = "modified BSD"}
+license-files = ["LICENSE"]
 keywords = ["data mining", "materials science", "scientific tools"]
 authors = [
     { name = "Anubhav Jain", email = "anubhavster@gmail.com" }
@@ -37,8 +50,8 @@ dependencies = [
 ]
 
 [project.urls]
-"Homepage" = "https://github.com/hackingmaterials/matminer"
-
+Homepage = "https://github.com/hackingmaterials/matminer"
+Documentation = "https://hackingmaterials.lbl.gov/matminer/"
 
 [project.optional-dependencies]
 mpds = ["ujson", "jmespath", "httplib2", "ase", "jsonschema"]
@@ -60,13 +73,6 @@ dev = [
 ]
 tests = ["matminer[mpds,describe,mdfforge,aflow,citrine,dev]"]
 
-[tool.setuptools_scm]
-version_scheme = "guess-next-dev"
-local_scheme = "no-local-version"
-
-[tool.setuptools.packages.find]
-where = ["matminer"]
-
 [tool.pytest.ini_options]
 testpaths = ["tests"]