Release prep

.github/workflows/build_publish.yml

@@ -0,0 +1,49 @@
+name: Build/publish Python Package
+
+on: push
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.x"
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          python -m pip install build twine
+      - name: Build package
+        run: |
+          python -m build --sdist --wheel
+      - name: Check package
+        run: |
+          python -m twine check dist/*
+      - name: Store the distribution packages
+        uses: actions/upload-artifact@v4
+        with:
+          name: python-package-distributions
+          path: dist/
+
+  publish-to-pypi:
+    if: startsWith(github.ref, 'refs/tags/') # only publish to PyPI on tag pushes
+    needs:
+      - build
+    runs-on: ubuntu-latest
+    environment:
+      name: release
+      url: https://pypi.org/p/epyscan
+    permissions:
+      id-token: write # IMPORTANT: mandatory for trusted publishing
+    steps:
+      - name: Download distribution packages
+        uses: actions/download-artifact@v4
+        with:
+          name: python-package-distributions
+          path: dist/
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1

CITATION.cff

@@ -0,0 +1,16 @@
+cff-version: 1.2.0
+title: >-
+  epyscan - Create campaigns of EPOCH runs over a given parameter space using various sampling methods
+message: 'If you use this software, please cite it using the metadata from this file.'
+type: software
+authors:
+  - family-names: Hill
+    given-names: Peter
+    orcid: 'https://orcid.org/0000-0003-3092-1858'
+    affiliation: University of York
+  - family-names: Adams
+    given-names: Joel L.
+    orcid: 'https://orcid.org/0009-0005-4889-5231'
+    affiliation: University of York
+repository-code: 'https://github.com/PlasmaFAIR/epyscan'
+date-released: '2024-05-07'

README.md

@@ -1,12 +1,27 @@
 # epyscan
 
 Create campaigns of EPOCH runs over a given parameter space using
-different sampling methods
+various sampling methods
 
-This is a work in progress, with only uniform grid scans implemented
-so far.
+## Installation
 
-## Examples
+Install from PyPI with:
+
+```bash
+pip install epyscan
+```
+
+or from a local checkout:
+
+```bash
+git clone https://github.com/PlasmaFAIR/epyscan.git
+cd epyscan
+pip install .
+```
+
+We recommend switching to [uv](https://docs.astral.sh/uv/) to manage packages.
+
+## Usage
 
 Parameter space to be sampled is described by a `dict` where keys
 should be in the form of `block_name:parameter`, and values should

pyproject.toml

@@ -1,37 +1,37 @@
 [build-system]
 requires = [
-    "setuptools >= 65",
-    "setuptools_scm[toml] >= 6.2",
-    "wheel >= 0.29.0",
+  "setuptools >= 65",
+  "setuptools_scm[toml] >= 6.2",
+  "wheel >= 0.29.0",
 ]
 build-backend = "setuptools.build_meta"
 
 [project]
 name = "epyscan"
+dynamic = ["version"]
+readme = "README.md"
+license = { file = "LICENCE.md" }
 authors = [
-        {name = "Peter Hill", email = "[email protected]"},
-        {name = "Joel Adams", email = "[email protected]"}
+  { name = "Peter Hill", email = "[email protected]" },
+  { name = "Joel Adams", email = "[email protected]" },
 ]
-license = {text = "BSD"}
 requires-python = ">=3.9"
-dynamic = ["version"]
 dependencies = [
-    "epydeck @ git+https://github.com/PlasmaFAIR/epydeck.git@main",
-    "numpy >= 1.24",
-    "scipy >= 1.10",
-]    
+  "epydeck @ git+https://github.com/PlasmaFAIR/epydeck.git@main",
+  "numpy >= 1.24",
+  "scipy >= 1.10",
+]
+description = "Create campaigns of EPOCH plasma PIC code runs over a given parameter space using various sampling methods."
 
 [project.optional-dependencies]
 docs = [
-     "sphinx >= 5.3",
-     "sphinx_autodoc_typehints >= 1.19",
-     "sphinx-book-theme >= 0.4.0rc1",
-     "sphinx-argparse-cli >= 1.10.0",
-     "sphinx-inline-tabs",
-]
-tests = [
-      "pytest >= 3.3.0",
+  "sphinx >= 5.3",
+  "sphinx_autodoc_typehints >= 1.19",
+  "sphinx-book-theme >= 0.4.0rc1",
+  "sphinx-argparse-cli >= 1.10.0",
+  "sphinx-inline-tabs",
 ]
+tests = ["pytest >= 3.3.0"]
 lint = ["ruff"]
 
 [tool.setuptools_scm]
@@ -43,27 +43,27 @@ target-version = "py39"
 
 [tool.ruff.lint]
 extend-select = [
-  "B",           # flake8-bugbear
-  "I",           # isort
-  "ARG",         # flake8-unused-arguments
-  "C4",          # flake8-comprehensions
-  "ICN",         # flake8-import-conventions
-  "G",           # flake8-logging-format
-  "PGH",         # pygrep-hooks
-  "PIE",         # flake8-pie
-  "PL",          # pylint
-  "PT",          # flake8-pytest-style
-  "PTH",         # flake8-use-pathlib
-  "RET",         # flake8-return
-  "RUF",         # Ruff-specific
-  "SIM",         # flake8-simplify
-  "UP",          # pyupgrade
-  "YTT",         # flake8-2020
-  "EXE",         # flake8-executable
-  "NPY",         # NumPy specific rules
-  "PD",          # pandas-vet
+  "B",   # flake8-bugbear
+  "I",   # isort
+  "ARG", # flake8-unused-arguments
+  "C4",  # flake8-comprehensions
+  "ICN", # flake8-import-conventions
+  "G",   # flake8-logging-format
+  "PGH", # pygrep-hooks
+  "PIE", # flake8-pie
+  "PL",  # pylint
+  "PT",  # flake8-pytest-style
+  "PTH", # flake8-use-pathlib
+  "RET", # flake8-return
+  "RUF", # Ruff-specific
+  "SIM", # flake8-simplify
+  "UP",  # pyupgrade
+  "YTT", # flake8-2020
+  "EXE", # flake8-executable
+  "NPY", # NumPy specific rules
+  "PD",  # pandas-vet
 ]
 ignore = [
-  "PLR2004",     # magic-comparison
-  "B9",          # flake8-bugbear opinionated warnings
+  "PLR2004", # magic-comparison
+  "B9",      # flake8-bugbear opinionated warnings
 ]