Use pyproject.toml to install appletree (#184)

.bumpversion.cfg

@@ -1,5 +1,5 @@
 [bumpversion]
 current_version = 0.5.1
-files = setup.py appletree/__init__.py
+files = appletree/__init__.py
 commit = True
 tag = True

.github/workflows/pytest.yml

@@ -21,7 +21,7 @@ on:
     branches: [ master ]
 
 jobs:
-  build:
+  test:
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
@@ -44,7 +44,6 @@ jobs:
         run: |
           python -m pip install --upgrade pip
           python -m pip install pytest coverage coveralls
-          pip install -r requirements.txt
 
       - name: Install Appletree
         run: |

.pre-commit-config.yaml

@@ -22,6 +22,8 @@ repos:
     rev: v1.7.5
     hooks:
     -   id: docformatter
+        additional_dependencies: [tomli]
+        args: [--config, pyproject.toml]
 
 -   repo: https://github.com/pre-commit/mirrors-mypy
     rev: v1.11.1
@@ -34,6 +36,7 @@ repos:
     hooks:
     -   id: doc8
         files: ^docs/.*\.(rst|md)$
+        args: [--ignore, D001]
 
 -   repo: https://github.com/pycqa/flake8
     rev: 7.1.1

.readthedocs.yml

@@ -13,14 +13,10 @@ build:
 
 python:
   install:
-    - requirements: requirements.txt
-    - requirements: docs/requirements-docs.txt
     - method: pip
       path: .
       extra_requirements:
         - docs
-    - method: setuptools
-      path: .
 
 formats:
   - htmlzip

README.md

@@ -17,19 +17,19 @@ A high-Performance Program simuLatEs and fiTs REsponse of xEnon.
 With cpu support:
 
 ```
-pip install appletree[cpu]
+pip install appletree jax[cpu]
 ```
 
 With CUDA Toolkit 11.2 support:
 
 ```
-pip install appletree[cuda112] -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
+pip install appletree jax[cuda]==0.3.15 -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
 ```
 
 With CUDA Toolkit 12.1 support:
 
 ```
-pip install appletree[cuda121] -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
+pip install appletree jax[cuda12_pip] -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
 ```
 
 ### Developer setup:
@@ -41,14 +41,14 @@ git clone https://github.com/XENONnT/appletree
 cd appletree
 ```
 
-To install the package and requirements in your environment, replace `pip install appletree[*]` to `python3 -m pip install .[*] --user` in the above `pip` commands.
+To install the package and requirements in your environment, add `--user` in the above commands.
 
-To install appletree in editable mode, insert `--editable` argument after `install` in the above `pip install` or `python3 -m pip install` commands.
+To install appletree in editable mode, insert `--editable` argument after `install` in the above `pip install` commands.
 
 For example, to install in your environment and in editable mode with CUDA Toolkit 12.1 support:
 
 ```
-python3 -m pip install --editable .[cuda121] --user -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
+pip install --editable . jax[cuda]==0.3.15 -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html --user
 ```
 
 Then you are now good to go!

pyproject.toml

@@ -0,0 +1,83 @@
+[tool]
+[tool.poetry]
+name = "appletree"
+version = "0.5.1"
+description = "A high-Performance Program simuLatEs and fiTs REsponse of xEnon."
+readme = "README.md"
+authors = [
+  "Appletree contributors, the XENON collaboration",
+]
+classifiers = [
+  "Development Status :: 5 - Production/Stable",
+  "License :: OSI Approved :: BSD License",
+  "Natural Language :: English",
+  "Programming Language :: Python :: 3.8",
+  "Programming Language :: Python :: 3.9",
+  "Intended Audience :: Science/Research",
+  "Programming Language :: Python :: Implementation :: CPython",
+  "Topic :: Scientific/Engineering :: Physics",
+]
+repository = "https://github.com/XENONnT/appletree"
+
+[tool.poetry.scripts]
+rechunker = "bin.rechunker:main"
+
+[tool.poetry.dependencies]
+python = ">=3.8,<3.13"
+jax = "*"
+corner = "*"
+emcee = "*"
+GOFevaluation = "*"
+h5py = "*"
+immutabledict = "*"
+matplotlib = "*"
+multihist = "*"
+numpy = "<2.0.0"
+numpyro = "*"
+pandas = "*"
+scikit-learn = "*"
+scipy = "*"
+strax = "*"
+straxen = "*"
+graphviz = "*"
+commonmark = { version = "0.9.1", optional = true }
+m2r = { version = "0.2.1", optional = true }
+mistune = { version = "0.8.4", optional = true }
+nbsphinx = { version = "0.8.9", optional = true }
+recommonmark = { version = "0.7.1", optional = true }
+sphinx = { version = "5.2.3", optional = true }
+sphinx_rtd_theme = { version = "1.0.0", optional = true }
+Jinja2 = { version = "3.0.3", optional = true }
+lxml_html_clean = { version = "*", optional = true }
+
+[tool.poetry.extras]
+docs = [
+  "commonmark",
+  "m2r",
+  "mistune",
+  "nbsphinx",
+  "recommonmark",
+  "sphinx",
+  "sphinx_rtd_theme",
+  "Jinja2",
+  "lxml_html_clean",
+]
+
+[build-system]
+requires = ["poetry-core>=1.0.8", "setuptools>=61.0"]
+build-backend = "poetry.core.masonry.api"
+
+[tool.black]
+line-length = 100
+preview = true
+
+[tool.docformatter]
+recursive = true
+in-place = true
+style = "google"
+wrap-summaries = 100
+wrap-descriptions = 100
+blank = true
+
+[tool.doc8]
+max-line-length = 100

setup.cfg

@@ -13,13 +13,3 @@ ignore = E203, W503
 
 per-file-ignores =
     appletree/*__init__.py: E402, F401, F403
-
-[docformatter]
-in-place = true
-blank = true
-style = google
-wrap-summaries = 100
-wrap-descriptions = 100
-
-[doc8]
-ignore = D001