Use requires-python from pyproject.toml in conda-recipe

These steps are executed during the initial deployment

.gitea/workflows/deploy.yaml

@@ -11,15 +11,8 @@ env:
   CONDA: /opt/miniforge3
 
 jobs:
-  prepare:
-    runs-on: pyzebra
-    steps:
-      - run: $CONDA/bin/conda config --add channels conda-forge
-      - run: $CONDA/bin/conda config --set solver libmamba
-
   test-env:
     runs-on: pyzebra
-    needs: prepare
     if: github.ref == 'refs/heads/main'
     env:
       BUILD_DIR: ${{ runner.temp }}/conda_build
@@ -33,7 +26,6 @@ jobs:
 
   prod-env:
     runs-on: pyzebra
-    needs: prepare
     if: startsWith(github.ref, 'refs/tags/')
     env:
       BUILD_DIR: ${{ runner.temp }}/conda_build

conda-recipe/meta.yaml

@@ -1,8 +1,10 @@
-{% set data = load_setup_py_data() %}
+{% set version_match = load_file_regex(load_file="pyzebra/__init__.py", regex_pattern='__version__ = "(.+?)"') %}
+{% set version = version_match[1] %}
+{% set pyproject = load_file_data('pyproject.toml') %}
 
 package:
-  name: pyzebra
+  name: {{ pyproject['project']['name'] }}
-  version: {{ data['version'] }}
+  version: {{ version }}
 
 source:
   path: ..
@@ -10,26 +12,24 @@ source:
 build:
   script: python -m pip install .
   noarch: python
-  number: 0
   entry_points:
     - pyzebra = pyzebra.app.cli:main
 
 requirements:
-  build:
+  host:
-    - python >=3.8
+    - python {{ pyproject['project']['requires-python'] }}
-    - setuptools
+    - hatchling
   run:
-    - python >=3.8
+    - python {{ pyproject['project']['requires-python'] }}
-    - numpy
+    {% for dep in pyproject['project']['dependencies'] %}
-    - scipy
+    - {{ dep }}
-    - h5py
+    {% endfor %}
-    - bokeh =2.4
-    - numba
-    - lmfit >=1.0.2
-
 
 about:
-  home: https://gitlab.psi.ch/zebra/pyzebra
+  home: {{ pyproject['project']['urls']['Homepage'] }}
-  summary: {{ data['description'] }}
+  summary: {{ pyproject['project']['description'] }}
-  license: GNU GPLv3
+  license: {{ pyproject['project']['license'] }}
-  license_file: LICENSE
+  license_file:
+    {% for lf in pyproject['project']['license-files'] %}
+    - {{ lf }}
+    {% endfor %}

make_release.py

@@ -4,6 +4,7 @@ import argparse
 import os
 import re
 import subprocess
+from pathlib import Path
 
 
 def main():
@@ -13,7 +14,8 @@ def main():
         print(f"Aborting, not on '{default_branch}' branch.")
         return
 
-    version_filepath = os.path.join(os.path.basename(os.path.dirname(__file__)), "__init__.py")
+    project_path = Path(__file__).resolve().parent
+    version_filepath = project_path / project_path.name / "__init__.py"
 
     parser = argparse.ArgumentParser()
     parser.add_argument("level", type=str, choices=["patch", "minor", "major"])
@@ -22,7 +24,7 @@ def main():
     with open(version_filepath) as f:
         file_content = f.read()
 
-    version = re.search(r'__version__ = "(.*?)"', file_content).group(1)
+    version = re.search(r'__version__ = "(.+?)"', file_content).group(1)
     major, minor, patch = map(int, version.split(sep="."))
 
     if args.level == "patch":
@@ -38,7 +40,7 @@ def main():
     new_version = f"{major}.{minor}.{patch}"
 
     with open(version_filepath, "w") as f:
-        f.write(re.sub(r'__version__ = "(.*?)"', f'__version__ = "{new_version}"', file_content))
+        f.write(re.sub(r'__version__ = "(.+?)"', f'__version__ = "{new_version}"', file_content))
 
     os.system(f"git commit {version_filepath} -m 'Updating for version {new_version}'")
     os.system(f"git tag -a {new_version} -m 'Release {new_version}'")

pyproject.toml

@@ -0,0 +1,35 @@
+[build-system]
+requires = ["hatchling"]
+build-backend = "hatchling.build"
+
+[project]
+name = "pyzebra"
+dynamic = ["version"]  # version will be read from __init__.py
+requires-python = ">=3.8"
+dependencies = [
+    "numpy",
+    "scipy",
+    "h5py",
+    "bokeh ~=2.4",
+    "numba",
+    "lmfit >=1.0.2",
+]
+authors = [
+  {name = "Paul Scherrer Institute"}
+]
+maintainers = [
+  {name = "Ivan Usov", email = "ivan.usov@psi.ch"}
+]
+description = "An experimental data analysis library for zebra instrument."
+readme = "README.md"
+license = "GPL-3.0-or-later"
+license-files = ["LICENSE"]
+
+[project.urls]
+Homepage = "https://gitea.psi.ch/zebra/pyzebra"
+
+[tool.hatch.build.targets.wheel]
+include = ["pyzebra"]
+
+[tool.hatch.version]
+path = "pyzebra/__init__.py"

pyzebra/__init__.py

@@ -6,4 +6,4 @@ from pyzebra.sxtal_refgen import *
 from pyzebra.utils import *
 from pyzebra.xtal import *
 
-__version__ = "0.7.11"
+__version__ = "0.7.12"

pyzebra/anatric.py

@@ -19,7 +19,7 @@ REFLECTION_PRINTER_FORMATS = [
     "oksana",
 ]
 
-ANATRIC_PATH = "/afs/psi.ch/project/sinq/rhel8/bin/anatric"
+ANATRIC_PATH = "/opt/anatric"
 ALGORITHMS = ["adaptivemaxcog", "adaptivedynamic"]
 
 

pyzebra/sxtal_refgen.py

@@ -9,7 +9,7 @@ import numpy as np
 
 logger = logging.getLogger(__name__)
 
-SXTAL_REFGEN_PATH = "/afs/psi.ch/project/sinq/rhel8/bin/Sxtal_Refgen"
+SXTAL_REFGEN_PATH = "/opt/Sxtal_Refgen"
 
 _zebraBI_default_geom = """GEOM          2 Bissecting - HiCHI
 BLFR          z-up

pyzebra/utils.py

@@ -2,7 +2,7 @@ import os
 
 import numpy as np
 
-SINQ_PATH = "/afs/psi.ch/project/sinqdata"
+SINQ_PATH = "/sq_data"
 ZEBRA_PROPOSALS_PATH = os.path.join(SINQ_PATH, "{year}/zebra/{proposal}")
 
 

setup.py

@@ -1,14 +0,0 @@
-import re
-
-from setuptools import find_packages, setup
-
-with open("pyzebra/__init__.py") as f:
-    version = re.search(r'__version__ = "(.*?)"', f.read()).group(1)
-
-setup(
-    name="pyzebra",
-    version=version,
-    description="An experimental data analysis library for zebra instrument.",
-    packages=find_packages(),
-    license="GNU GPLv3",
-)