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python-pymol
python-pymol.spec
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File python-pymol.spec of Package python-pymol
# # spec file for package python-pymol # # Copyright (c) 2024 SUSE LLC # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed # upon. The license for this file, and modifications and additions to the # file, is the same license as for the pristine package itself (unless the # license for the pristine package is not an Open Source License, in which # case the license is the MIT License). An "Open Source License" is a # license that conforms to the Open Source Definition (Version 1.9) # published by the Open Source Initiative. # Please submit bugfixes or comments via https://bugs.opensuse.org/ # %bcond_with test %{?!python_module:%define python_module() python-%{**} python3-%{**}} %define skip_python2 1 %define oldpython python %define modname pymol-open-source Name: python-pymol Version: 3.0.0 Release: 0 Summary: A Molecular Viewer License: Python-2.0 Group: Productivity/Scientific/Chemistry URL: https://pymol.org/ Source0: https://github.com/schrodinger/%{modname}/archive/v%{version}/%{modname}-%{version}.tar.gz # PATCH-FIX-OPENSUSE no-build-date.patch dhall@wustl.edu -- patch eliminates build date Patch0: no-build-date.patch # PATCH-FIX-OPENSUSE no-o3.patch tchvatal@suse.com -- do not add O3 to the code Patch1: no-o3.patch BuildRequires: %{python_module devel} BuildRequires: %{python_module numpy-devel} BuildRequires: %{python_module qt5-devel} BuildRequires: %{python_module setuptools} BuildRequires: fdupes BuildRequires: freetype2-devel BuildRequires: gcc-c++ BuildRequires: glew-devel BuildRequires: glm-devel BuildRequires: msgpack-cxx-devel BuildRequires: libpng-devel BuildRequires: libxml2-devel BuildRequires: mmtf-cpp-devel BuildRequires: netcdf-devel BuildRequires: python-rpm-macros %if %{with test} BuildRequires: Catch2-2-devel BuildRequires: %{python_module Pillow} ## tests need recent biopython not available in Leap %if 0%{?sle_version} >= 150500 && 0%{?is_opensuse} %else BuildRequires: %{python_module biopython} %endif BuildRequires: %{python_module pytest} %endif Requires: python-numpy Requires: python-qt5 Requires: python-pmw Requires(post): update-alternatives Requires(postun):update-alternatives Obsoletes: pymol < %{version} Provides: pymol = %{version} %python_subpackages %description PyMOL is a molecular graphics system targetted at medium to large biomolecules like proteins. It can generate molecular graphics images and animations. Features include: * Visualization of molecules, molecular trajectories and surfaces of crystallography data or orbitals * Molecular builder and sculptor * Internal raytracer and movie generator * Fully extensible and scriptable via a python interface The file formats PyMOL can read include PDB, XYZ, CIF, MDL Molfile, ChemDraw, CCP4 maps, XPLOR maps and Gaussian cube maps. %prep %setup -q -n %{modname}-%{version} %autopatch -p1 %build export CXXFLAGS="%{optflags} -fno-strict-aliasing" %python_build %{?with_test:--testing} %install %python_install %python_clone -a %{buildroot}%{_bindir}/pymol %python_expand %fdupes %{buildroot}%{$python_sitearch} %check %if %{with test} ## TestExporting.testglTF requires a special executable from Schrodinger sed -e '/def testglTF(self):/,+7d' -i testing/tests/api/exporting.py %if 0%{?sle_version} >= 150500 && 0%{?is_opensuse} ## TestSeqalign needs recent biopython not available in Leap rm testing/tests/api/seqalign.py ## fails on Leap, but freemol is unused anyway rm testing/tests/system/freemol_.py ## default pytest / python on leap are too old... sed -e '/--import-mode=importlib/d' -i testing/pytest.ini %endif ## pymol -ckqy testing/testing.py --run all PYTHONPATH=%{buildroot}%{python_sitearch} python%{python_version} -m pymol -ckqy testing/testing.py --offline --run all %endif %post %python_install_alternative pymol %postun %python_uninstall_alternative pymol %files %{python_files} %doc README ChangeLog %license LICENSE %python_alternative %{_bindir}/pymol %{python_sitearch}* %changelog
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