chore: requirements and new version infrastructure updated

requirements/conda.txt

@@ -0,0 +1,3 @@
+matplotlib-base
+numpy
+scipy

requirements/docs.txt

@@ -0,0 +1,5 @@
+sphinx
+sphinx_rtd_theme
+sphinx-copybutton
+doctr
+m2r

requirements/pip.txt

@@ -0,0 +1,3 @@
+matplotlib
+numpy
+scipy

requirements/test.txt

@@ -0,0 +1,6 @@
+flake8
+pytest
+codecov
+coverage
+pytest-cov
+pytest-env

tests/conftest.py

@@ -0,0 +1,19 @@
+import json
+from pathlib import Path
+
+import pytest
+
+
+@pytest.fixture
+def user_filesystem(tmp_path):
+    base_dir = Path(tmp_path)
+    home_dir = base_dir / "home_dir"
+    home_dir.mkdir(parents=True, exist_ok=True)
+    cwd_dir = base_dir / "cwd_dir"
+    cwd_dir.mkdir(parents=True, exist_ok=True)
+
+    home_config_data = {"username": "home_username", "email": "home@email.com"}
+    with open(home_dir / "diffpyconfig.json", "w") as f:
+        json.dump(home_config_data, f)
+
+    yield tmp_path

tests/test_version.py

@@ -0,0 +1,10 @@
+"""Unit tests for __version__.py."""
+
+import diffpy.srfit  # noqa
+
+
+def test_package_version():
+    """Ensure the package version is defined and not set to the initial
+    placeholder."""
+    assert hasattr(diffpy.srfit, "__version__")
+    assert diffpy.srfit.__version__ != "0.0.0"