Change path to Python in __init__.py

.github/workflows/main.yml

@@ -178,6 +178,8 @@ jobs:
           scripts/validate_pyproject_toml.sh
           scripts/create_pycfml_python_wheel.sh
           scripts/rename_pycfml_python_wheel.sh
+          scripts/detect_abi3_violations.sh
+          scripts/check_wheel_contents.sh
 
       - name: Prepare for uploading Python package wheel of pyCFML
         shell: bash

pybuild.py

@@ -146,6 +146,38 @@ def _ifport_lib():
         ifport_lib = ''
     return ifport_lib
 
+def _initial_python_wheel_tags():
+    return {
+        'python_tag': 'py3',
+        'abi_tag': 'none',
+        'platform_tag': 'any'
+    }
+
+def _new_python_wheel_tags():
+    return {
+        'python_tag': _python_tag(),
+        'abi_tag': 'none',
+        'platform_tag': _platform_tag_github_ci()
+    }
+
+def _initial_wheel_name():
+    dist_package_name = PYPROJECT['project']['name']
+    dist_package_version = PYPROJECT['project']['version']
+    python_tag = _initial_python_wheel_tags()['python_tag']
+    abi_tag = _initial_python_wheel_tags()['abi_tag']
+    platform_tag = _initial_python_wheel_tags()['platform_tag']
+    name = f'{dist_package_name}-{dist_package_version}-{python_tag}-{abi_tag}-{platform_tag}.whl'
+    return name
+
+def _new_wheel_name():
+    dist_package_name = PYPROJECT['project']['name']
+    dist_package_version = PYPROJECT['project']['version']
+    python_tag = _new_python_wheel_tags()['python_tag']
+    abi_tag = _new_python_wheel_tags()['abi_tag']
+    platform_tag = _new_python_wheel_tags()['platform_tag']
+    name = f'{dist_package_name}-{dist_package_version}-{python_tag}-{abi_tag}-{platform_tag}.whl'
+    return name
+
 def _fix_file_permissions(path: str):
     os.chmod(path, 0o777)
 
@@ -412,6 +444,12 @@ def _compile_executables_script_lines(modules: str,
         lines.append(cmd)
     return lines
 
+def _run_subprocess(cmd:str):
+    result = None
+    p = subprocess.run(cmd, shell=True, text=True, capture_output=True)
+    result = p.stdout
+    return result
+
 def parsed_args():
     parser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter)
     parser.add_argument("--create-scripts",
@@ -1238,15 +1276,11 @@ def create_pycfml_python_wheel():
 
 def rename_pycfml_python_wheel():
     project_name = CONFIG['pycfml']['log-name']
-    dist_package_name = PYPROJECT['project']['name']
-    dist_package_version = PYPROJECT['project']['version']
-    initial_wheel_name = f'{dist_package_name}-{dist_package_version}-py3-none-any.whl'
-    new_wheel_name = initial_wheel_name.replace('py3-none-any', f'{_python_tag()}-none-{_platform_tag_github_ci()}')
     wheel_dir = CONFIG['pycfml']['dir']['dist-wheel']
-    wheel_relpath = os.path.join(wheel_dir, initial_wheel_name)
+    wheel_relpath = os.path.join(wheel_dir, _initial_wheel_name())
     wheel_abspath = os.path.join(_project_path(), wheel_relpath)
     lines = []
-    msg = _echo_msg(f"Renaming {project_name} python wheel from '{initial_wheel_name}' to '{new_wheel_name}' in '{wheel_dir}'")
+    msg = _echo_msg(f"Renaming {project_name} python wheel from '{_initial_wheel_name()}' to '{_new_wheel_name()}' in '{wheel_dir}'")
     lines.append(msg)
     cmd = CONFIG['template']['rename-wheel']
     cmd = cmd.replace('{PYTHON_TAG}', _python_tag())  # https://packaging.python.org/en/latest/specifications/platform-compatibility-tags/
@@ -1257,6 +1291,30 @@ def rename_pycfml_python_wheel():
     _write_lines_to_file(lines, script_name)
     append_to_main_script(lines)
 
+def detect_abi3_violations():
+    wheel_dir = CONFIG['pycfml']['dir']['dist-wheel']
+    wheel_path = os.path.join(wheel_dir, _new_wheel_name())
+    lines = []
+    msg = _echo_msg(f"Scanning Python extensions in python wheel '{_new_wheel_name()}' for abi3 violations")
+    lines.append(msg)
+    cmd = f'abi3audit {wheel_path}'
+    lines.append(cmd)
+    script_name = f'{sys._getframe().f_code.co_name}.sh'
+    _write_lines_to_file(lines, script_name)
+    append_to_main_script(lines)
+
+def check_wheel_contents():
+    wheel_dir = CONFIG['pycfml']['dir']['dist-wheel']
+    wheel_path = os.path.join(wheel_dir, _new_wheel_name())
+    lines = []
+    msg = _echo_msg(f"Checking content of Python wheel '{_new_wheel_name()}'")
+    lines.append(msg)
+    cmd = f'check-wheel-contents {wheel_path}'
+    lines.append(cmd)
+    script_name = f'{sys._getframe().f_code.co_name}.sh'
+    _write_lines_to_file(lines, script_name)
+    append_to_main_script(lines)
+
 def install_pycfml_from_wheel():
     project_name = CONFIG['pycfml']['log-name']
     package_name = PYPROJECT['project']['name']
@@ -1418,6 +1476,8 @@ def run_pycfml_functional_tests_no_benchmarks():
     validate_pyproject_toml()
     create_pycfml_python_wheel()
     rename_pycfml_python_wheel()
+    detect_abi3_violations()
+    check_wheel_contents()
 
     add_main_script_header(f"Install {pyCFML} from Python package wheel")
     install_pycfml_from_wheel()

pyproject.toml

@@ -29,11 +29,13 @@ dependencies = [
 
 [project.optional-dependencies]
 ci = [
+  'toml',  # need this, as tomllib is only available for python >=3.11
   'validate-pyproject[all]',
   'build',
   'wheel',
-  'colorama',
-  'toml'  # need this, as tomllib is only available for python >=3.11
+  'check-wheel-contents',
+  'abi3audit',
+  'colorama'
 ]
 test = [
   'deepdiff',

src/__init__.py

@@ -1,6 +1,8 @@
+import importlib.metadata
 import os
+import platform
 import sys
-import importlib.metadata
+
 
 # Set package version
 __version__ = importlib.metadata.version("pycrysfml")
@@ -10,3 +12,26 @@
 
 # Set environment variable CRYSFML_DB to be the path to the Databases directory
 os.environ['CRYSFML_DB'] = os.path.join(os.path.dirname(__file__), 'Databases')
+
+# Fix path to Python
+if platform.system() == 'Darwin':  # macOS
+    import sysconfig
+    python_tag = sysconfig.get_config_var('py_version_short')
+    old_path = f'/Library/Frameworks/Python.framework/Versions/{python_tag}/Python'
+    new_path = f'`python3-config --prefix`/Python'
+    if old_path != new_path:
+        import subprocess
+        lib_name = 'crysfml08lib.so'
+        lib_path = os.path.join(os.path.dirname(__file__), lib_name)
+        cmd = f'otool -L {lib_path}'
+        p = subprocess.run(cmd, shell=True, text=True, capture_output=True)
+        result = p.stdout
+        if old_path in result:
+            cmd = f'install_name_tool -change {old_path} {new_path} {lib_path}'
+            p = subprocess.run(cmd, shell=True, text=True, capture_output=True)
+            #result = p.stdout
+            #print(result)
+            #cmd = f'otool -L {lib_path}'
+            #p = subprocess.run(cmd, shell=True, text=True, capture_output=True)
+            #result = p.stdout
+            #print(result)