Name: python-codeentropy Version: 1.0.2 Release: %autorelease # Fill in the actual package summary to submit package to Fedora Summary: CodeEntropy is a Python package for computing the configurational entropy of macromolecular systems using forces sampled from molecular dynamics (MD) simulations. It implements the multiscale cell correlation method to provide accurate and efficient entropy estimates, supporting a wide range of applications in molecular simulation and statistical mechanics. # Check if the automatically generated License and its spelling is correct for Fedora # https://docs.fedoraproject.org/en-US/packaging-guidelines/LicensingGuidelines/ License: MIT URL: https://ccpbiosim.github.io/CodeEntropy/ Source: %{pypi_source codeentropy} BuildArch: noarch BuildRequires: python3-devel # Fill in the actual package description to submit package to Fedora %global _description %{expand: This is package 'codeentropy' generated automatically by pyp2spec.} %description %_description %package -n python3-codeentropy Summary: %{summary} %description -n python3-codeentropy %_description # For official Fedora packages, review which extras should be actually packaged # See: https://docs.fedoraproject.org/en-US/packaging-guidelines/Python/#Extras %pyproject_extras_subpkg -n python3-codeentropy docs,pre-commit,testing %prep %autosetup -p1 -n codeentropy-%{version} %generate_buildrequires # Keep only those extras which you actually want to package or use during tests %pyproject_buildrequires -x docs,pre-commit,testing %build %pyproject_wheel %install %pyproject_install # For official Fedora packages, including files with '*' +auto is not allowed # Replace it with a list of relevant Python modules/globs and list extra files in %%files %pyproject_save_files '*' +auto %check %_pyproject_check_import_allow_no_modules -t %files -n python3-codeentropy -f %{pyproject_files} %changelog %autochangelog