Update the packaging strategy to use pyproject.toml files.

.pre-commit-config.yaml

@@ -4,7 +4,7 @@ default_language_version:
 repos:
   # Run fast code improvement/checks before running PR specific helpers.
   - repo: https://github.com/pre-commit/pre-commit-hooks.git
-    rev: v4.3.0
+    rev: v4.4.0
     hooks:
       - id: trailing-whitespace
         args: [--markdown-linebreak-ext=md]
@@ -14,8 +14,8 @@ repos:
         args: ['--maxkb=4096']
         exclude: 'EVSVesuvio/experiments/original_inputs|unpackaged'
 
-  - repo: https://gitlab.com/pycqa/flake8.git
-    rev: 5.0.4
+  - repo: https://github.com/PyCQA/flake8.git
+    rev: 6.1.0
     hooks:
       - id: flake8
         args: ['--config', 'config.flake8']

EVSVesuvio/scripts/__init__.py

@@ -0,0 +1,9 @@
+"""Package defining top-level application
+and entry points.
+"""
+
+
+def main():
+    """Placeholder.
+    """
+    print("TEST_VESUVIO_LAUNCH")

meta.yaml → conda/meta.yaml

@@ -5,32 +5,32 @@
   {% set version = version_tag + version_number %}
 
 package:
-  name: EVSvesuvio
+  name: mvesuvio
   version: {{ version }}
 
 source:
-  git_url: ./
+  git_url: ../
 
-requirements:
-  host:
-    - python {{ python }}
+build:
+  noarch: python
+  script: python -m pip install --ignore-installed .
+  entry_points:
+    - mvesuvio = EVSVesuvio.scripts:main
 
+requirements:
   build:
+    - python {{ python }}
     - setuptools
 
   run:
     - python {{ python }}
-    - mantid>=6.4.0
+    - mantid==6.7.0
     - matplotlib
     - iminuit
     - h5py
     - mock
     - jacobi==0.4.2 #pinned untill 0.5.0 is proven
 
-test:
-  imports:
-    - EVSvesuvio
-
 about:
   home: https://github.com/mantidproject/vesuvio
   license: GPL-3.0-or-later

environment.yml

@@ -7,10 +7,9 @@ channels:
 dependencies:
   - flake8
   - conda-wrappers
-  - pre-commit==2.15
-  - cmake=3.19.*|>=3.21.0
+  - pre-commit==2.15 #review this
   - coverage
-  - mantid==6.6.0
+  - mantid==6.7.0 #review this
   - matplotlib
   - iminuit
   - h5py

pyproject.toml

@@ -0,0 +1,84 @@
+[build-system]
+requires = ["setuptools >= 65.0.0",
+            "wheel",
+            "versioningit",]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "mvesuvio"
+dynamic = ["version"]
+authors = [
+  {name = "The Mantid Project", email = "[email protected]"},
+  {name = "Guilherme Pereira", email = "[email protected]"},
+  {name = "More Credit", email = "[email protected]"},
+]
+description = "Analyse Vesuvio instrument data"
+readme = "README.md"
+requires-python = "==3.8.*"
+classifiers = [
+    "Programming Language :: Python :: 3.8",
+    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
+    "Operating System :: OS Independent",
+    "Topic :: Scientific/Engineering",
+]
+dependencies = [
+    "matplotlib",
+    "iminuit",
+    "h5py",
+    "jacobi==0.4.2",
+]
+
+[project.optional-dependencies]
+tests_require = [
+    "coverage",
+    "mock>=2.0",
+    "pytest",
+]
+
+[project.urls]
+"Repository" = "https://github.com/mantidproject/vesuvio"
+"Bug Tracker" = "https://github.com/mantidproject/vesuvio/issues"
+
+[project.entry-points]
+console_scripts = { mvesuvio = "EVSVesuvio.scripts:main" }
+
+[tool.setuptools.packages.find]
+include = ["EVSVesuvio*"]
+namespaces = false
+
+[tool.setuptools.package-data]
+"EVSVesuvio.vesuvio_analysis.ip_files" = ["*.OPJ", "*.par", "*.DAT", "*.DAT3", "*.DAT6", "*.txt"]
+
+[tool.pytest.ini_options]
+pythonpath = ["."]
+testpaths = ["EVSVesuvio/system_tests"]
+filterwarnings = ["error"]
+
+[tool.coverage.report]
+include = [
+    "*/EVSVesuvio/vesuvio_analysis/*",
+]
+
+omit = [
+    "*tests*",
+    "*unpackaged*",
+]
+
+fail_under = 0
+show_missing = true
+skip_empty = true
+
+[tool.versioningit.vcs]
+method = "git"
+default-tag = "0.0.0"
+
+[tool.versioningit.next-version]
+method = "minor"
+
+[tool.versioningit.format]
+distance = "{version}.dev{distance}"
+dirty = "{version}+uncommitted"
+distance-dirty = "{version}.dev{distance}+uncommitted"
+
+[tool.versioningit.write]
+file = "EVSVesuvio/__init__.py"