fixes in grace export and work on fit dialog

pyproject.toml

@@ -0,0 +1,53 @@
+[metadata]
+name = nmreval
+version = 0.1
+description = Evaluation of data
+long_description = file: README.md
+author = Dominik Demuth
+author_email = dominik.demuth@physik.tu-darmstadt.de
+install_requires = [
+   'numpy',
+   'scipy',
+   'matplotlib',
+   'bsddb3',
+   'pyqtgraph',
+   'pyqt',
+   'h5py',
+]
+keywords = ['nmr', 'physics', 'science']
+classifiers = [
+   'Development Status :: 3 - Alpha',
+   'Intended Audience :: End Users/Desktop',
+   'Intended Audience :: Science/Research',
+   'Topic :: Scientific/Engineering :: Physics',
+   'Topic :: Scientific/Engineering :: Visualization',
+   'Programming Language :: Python :: 3',
+   'Programming Language :: Python :: 3.7',
+   'Programming Language :: Python :: 3.8',
+   'Programming Language :: Python :: 3.9',
+   'Programming Language :: Python :: 3.10',
+   'Programming Language :: Python :: 3 :: only',
+]
+license = {text = "BSD 3-Clause License"}
+
+[tool.setuptools]
+include_package_data = true
+
+
+[tool.setuptools.packages]
+find = {}
+scripts = bin/evaluate.py
+
+[tool.setuptools.packages.find]
+include =[
+   'nmreval*',
+   'resources*',
+]
+
+[tool.setuptools.package_data]
+* = *.txt, *.npz, *.png, *.json
+
+
+
+
+