Name:           python-qcengine
Version:        0.26.0
Release:        %autorelease
Summary:        A compute wrapper for Quantum Chemistry

License:        BSD-3-Clause
URL:            https://github.com/MolSSI/QCEngine
Source:         %{pypi_source qcengine}

BuildArch:      noarch
BuildRequires:  python3-devel
# for testing
BuildRequires:  python3-pytest

%global _description %{expand:
Quantum chemistry program executor and IO standardizer (QCSchema) for quantum
chemistry.}

%description %_description

%package -n     python3-qcengine
Summary:        %{summary}

%description -n python3-qcengine %_description

%prep
%autosetup -p1 -n qcengine-%{version}

%generate_buildrequires
%pyproject_buildrequires

%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
%pytest

%files -n python3-qcengine -f %{pyproject_files}

%changelog
%autochangelog