update packaging to use toml

add conda dir

add toml and scripts dir

update packaging and fix fl8

add find directive

remove test

remove typo

add wildcard

correct toml file

update toml file

remove namespace pkg

add ip module and update flake8 repo

correct file path typo

.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"