make python directory and adapt build process

MANIFEST.in

@@ -1 +0,0 @@
-include README.md src/pytrexio.py src/pytrexio_wrap.c src/trexio.c src/trexio_hdf5.c src/trexio_text.c

python/MANIFEST.in

@@ -0,0 +1 @@
+include src/pytrexio.py src/pytrexio_wrap.c src/trexio.c src/trexio_hdf5.c src/trexio_text.c

python/setup.cfg

@@ -0,0 +1,12 @@
+[metadata]
+long_description = file: README.md
+licence_file = LICENSE
+project_urls =
+    Bug Tracker = https://github.com/TREX-CoE/trexio/issues
+license = BSD 3-Clause License
+
+[options]
+zip_safe = False
+python_requires = >=3.6
+install_requires = h5py
+

python/setup.py

@@ -13,6 +13,7 @@ srcpath = os.path.join(rootpath, 'src')
 c_files = ['trexio.c', 'trexio_hdf5.c', 'trexio_text.c', 'pytrexio_wrap.c']
 h_files = ['trexio.h', 'trexio_hdf5.h', 'trexio_text.h', 'trexio_s.h', 'trexio_private.h']
 
+# setup.py does not copy all
 
 with open("README.md", "r") as fh:
     long_description = fh.read()
@@ -36,7 +37,6 @@ setup(name             = 'pytrexio',
       long_description_content_type = "text/markdown",
       ext_modules      = [pytrexio_module],
       py_modules       = ["pytrexio"],
-      scripts          = ["tests/test_py.py"],
       url              = 'https://github.com/TREX-CoE/trexio',
       license          = 'BSD',
       packages         = find_packages(),

python/test-pypi-release-pytrexio.sh

@@ -6,9 +6,14 @@ set -e
 #source version.py
 
 python3 -m pip install --upgrade setuptools wheel twine
-python3 -s setup.py --no-user-cfg build
+#python3 -s setup.py --no-user-cfg build
+python3 -s setup.py build
 python3 setup.py sdist bdist_wheel
-python3 -m pip install dist/pytrexio-0.1-cp38-cp38-linux_x86_64.whl
+python3 -m pip install dist/pytrexio-0.1-*.whl --force-reinstall
+
+# remove
+#python3 -m pip uninstall pytrexio
+
 #python3 -m twine upload dist/pytrexio-0.1.tar.gz
 
 # NOTE:I get an error: 
@@ -16,6 +21,7 @@ python3 -m pip install dist/pytrexio-0.1-cp38-cp38-linux_x86_64.whl
 # when uploading the wheel instead of the tar.gz file to testpypi
 # This is a well-known issue, see https://stackoverflow.com/questions/59451069/binary-wheel-cant-be-uploaded-on-pypi-using-twine
  
-python3 -m twine upload --repository testpypi dist/pytrexio-0.1.tar.gz
+#python3 -m twine upload --repository testpypi dist/pytrexio-0.1.tar.gz
 
-rm -rf build dist pytrexio.egg-info
+rm -rf build pytrexio.egg-info
+rm -rf dist

setup.cfg

@@ -1,9 +0,0 @@
-[metadata]
-description-file = README.md
-project_urls =
-    Bug Tracker = https://github.com/TREX-CoE/trexio/issues
-
-
-[options]
-python_requires = >=3.6
-