Merge pull request #3 from tzok/release-1.3.0

Release 1.3.0

.gitignore

@@ -4,4 +4,5 @@ README.html
 __pycache__
 assets
 dist
+src/eltetrado.egg-info
 x3dna-dssr

.style.yapf

@@ -0,0 +1,3 @@
+[style]
+based_on_style = google
+column_limit = 120

MANIFEST.in

@@ -0,0 +1,2 @@
+include src/eltetrado/compute/VERSION
+include src/eltetrado/compute/quadraw.R

bin/eltetrado

@@ -0,0 +1,4 @@
+#! /usr/bin/env python
+import eltetrado.compute.analysis
+
+eltetrado.compute.analysis.eltetrado()

bin/has_tetrad

@@ -0,0 +1,4 @@
+#! /usr/bin/env python
+import eltetrado.compute.analysis
+
+eltetrado.compute.analysis.has_tetrad()

pyproject.toml

@@ -1,24 +1,6 @@
-[tool.poetry]
-name = "eltetrado"
-version = "1.2.0"
-description = "A Python application to find and classify tetrads and quadruplexes in DNA/RNA 3D structure"
-license = "MIT"
-authors = ["Tomasz Żok <[email protected]>"]
-readme = "README.md"
-homepage = "https://github.com/tzok/eltetrado"
-packages = [{ include = "eltetrado", from = "src" }]
-
-[tool.poetry.dependencies]
-python = "^3.6"
-biopython = "^1.78"
-numpy = "^1.20.3"
-
-[tool.poetry.dev-dependencies]
-
-[tool.poetry.scripts]
-eltetrado = "eltetrado.eltetrado:main"
-has_tetrad = "eltetrado.has_tetrad:main"
-
 [build-system]
-requires = ["poetry-core>=1.0.0"]
-build-backend = "poetry.core.masonry.api"
+requires = [
+    "setuptools",
+    "wheel"
+]
+build-backend = "setuptools.build_meta"

requirements.txt

@@ -0,0 +1,3 @@
+mmcif-pdbx~=2.0.1
+numpy~=1.21.4
+orjson~=3.6.4

setup.cfg

@@ -0,0 +1,41 @@
+[metadata]
+name = eltetrado
+version = file: src/eltetrado/compute/VERSION
+author = Tomasz Żok
+author_email = [email protected]
+description = Find and classify tetrads and quadruplexes in DNA/RNA 3D structure
+long_description = file: README.md
+long_description_content_type = text/markdown
+url = https://github.com/tzok/eltetrado
+project_urls =
+    Bug Tracket = https://github.com/tzok/eltetrado/issues
+classifiers =
+    Development Status :: 5 - Production/Stable
+    Environment :: Console
+    Intended Audience :: Science/Research
+    License :: OSI Approved :: MIT License
+    Operating System :: OS Independent
+    Programming Language :: Python :: 3
+    Topic :: Scientific/Engineering :: Bio-Informatics
+
+[options]
+include_package_data = True
+package_dir =
+    = src
+packages = find:
+python_requires = >=3.6
+install_requires =
+    mmcif-pdbx
+    numpy
+    orjson
+scripts =
+    bin/eltetrado
+    bin/has_tetrad
+
+[options.entry_points]
+console_scripts =
+    eltetrado = eltetrado.compute.cli:eltetrado_cli
+    has_tetrad = eltetrado.compute.cli:has_tetrad_cli
+
+[options.packages.find]
+where = src

setup.py

@@ -0,0 +1,2 @@
+from setuptools import setup
+setup()

src/eltetrado/compute/VERSION

@@ -0,0 +1 @@
+1.3.0