From 3b7b96d4518613040796fad29a3c2482f825dee6 Mon Sep 17 00:00:00 2001
From: q-posev <posenitskiy@irsamc.ups-tlse.fr>
Date: Tue, 3 May 2022 15:07:38 +0200
Subject: [PATCH] Read the version string from the _version.py file

---
 python/pyqmckl/__init__.py |  1 +
 python/pyqmckl/_version.py |  1 +
 python/setup.py            | 29 +++++++++++++++++++++--------
 3 files changed, 23 insertions(+), 8 deletions(-)
 create mode 100644 python/pyqmckl/_version.py

diff --git a/python/pyqmckl/__init__.py b/python/pyqmckl/__init__.py
index 7e8cb3b..e797b17 100644
--- a/python/pyqmckl/__init__.py
+++ b/python/pyqmckl/__init__.py
@@ -1 +1,2 @@
 from .pyqmckl import *
+from ._version import __version__
diff --git a/python/pyqmckl/_version.py b/python/pyqmckl/_version.py
new file mode 100644
index 0000000..d3ec452
--- /dev/null
+++ b/python/pyqmckl/_version.py
@@ -0,0 +1 @@
+__version__ = "0.2.0"
diff --git a/python/setup.py b/python/setup.py
index c3138a4..2cf89db 100644
--- a/python/setup.py
+++ b/python/setup.py
@@ -6,30 +6,44 @@ setup.py file for pyqmckl package
 from setuptools import setup, Extension
 from os.path import join
 
+
+# Read the long description
 with open("README.md", "r") as fh:
     long_description = fh.read()
 
+# Read the version string from the file
+VERSIONFILE = "pyqmckl/_version.py"
+try:
+    exec(open(VERSIONFILE).read())
+except:
+    raise IOError("Could not open the version file %s." % (VERSIONFILE, ))
+
+version_r = __version__
+if not version_r:
+    raise RuntimeError("Unable to find a version string in %s." % (VERSIONFILE, ))
+
+
+# Define the name of the Python package
 mod_name = 'pyqmckl'
 
 
-# Define pyqmckl extension module based on TREXIO source codes + SWIG-generated wrapper
-pyqmckl_module =  Extension(name               = f'{mod_name}._{mod_name}', #f'_{mod_name}',   
-                            #sources            = [ join('src', mod_name + '_wrap.c') ],
-                            sources            = [ join('src', f'{mod_name}.i') ],
+# Define pyqmckl extension module based on SWIG interface file (requires qmckl.h)
+pyqmckl_module =  Extension(name               = mod_name + '._' + mod_name,
+                            sources            = [ join('src', mod_name + '_wrap.c') ],
                             #include_dirs       = [numpy_includedir],
                             #library_dirs       = [],
                             #runtime_library_dirs = [],
                             libraries          = ['qmckl'],
                             extra_compile_args = ['-Wall'],
                             #extra_link_args    = [h5_ldflags],
-                            swig_opts          = ['-py3'],
+                            #swig_opts          = ['-py3' , '-builtin'],
                             depends            = [ join('src', 'qmckl.h') ],
                             language           = 'c'
                             )
 
 
 setup(name             = mod_name,
-      version          = '0.2.0',
+      version          = version_r,
       author           = "TREX-CoE",
       author_email     = "posenitskiy@irsamc.ups-tlse.fr",
       description      = """Python API of the QMCkl library""",
@@ -37,8 +51,7 @@ setup(name             = mod_name,
       long_description_content_type = "text/markdown",
       ext_modules      = [pyqmckl_module],
       py_modules       = [mod_name],
-      #package_dir      = {"" : "src"},
-      packages         = ['pyqmckl'],
+      packages         = [mod_name],
       url              = 'https://github.com/TREX-CoE/qmckl',
       license          = 'BSD',
       classifiers=[