forked from pool/python-pymol
Markéta Machová
ecf30d36ec
- added test stuff -- succeeds for x86_64, unstable for other archs OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python-pymol?expand=0&rev=18
128 lines
4.1 KiB
RPMSpec
128 lines
4.1 KiB
RPMSpec
#
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# spec file for package python-pymol
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#
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# Copyright (c) 2024 SUSE LLC
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#
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# All modifications and additions to the file contributed by third parties
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# remain the property of their copyright owners, unless otherwise agreed
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# upon. The license for this file, and modifications and additions to the
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# file, is the same license as for the pristine package itself (unless the
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# license for the pristine package is not an Open Source License, in which
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# case the license is the MIT License). An "Open Source License" is a
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# license that conforms to the Open Source Definition (Version 1.9)
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# published by the Open Source Initiative.
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# Please submit bugfixes or comments via https://bugs.opensuse.org/
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#
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%bcond_with test
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%{?!python_module:%define python_module() python-%{**} python3-%{**}}
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%define skip_python2 1
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%define oldpython python
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%define modname pymol-open-source
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Name: python-pymol
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Version: 3.0.0
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Release: 0
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Summary: A Molecular Viewer
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License: Python-2.0
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Group: Productivity/Scientific/Chemistry
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URL: https://pymol.org/
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Source0: https://github.com/schrodinger/%{modname}/archive/v%{version}/%{modname}-%{version}.tar.gz
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# PATCH-FIX-OPENSUSE no-build-date.patch dhall@wustl.edu -- patch eliminates build date
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Patch0: no-build-date.patch
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# PATCH-FIX-OPENSUSE no-o3.patch tchvatal@suse.com -- do not add O3 to the code
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Patch1: no-o3.patch
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BuildRequires: %{python_module devel}
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BuildRequires: %{python_module numpy-devel}
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BuildRequires: %{python_module qt5-devel}
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BuildRequires: %{python_module setuptools}
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BuildRequires: fdupes
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BuildRequires: freetype2-devel
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BuildRequires: gcc-c++
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BuildRequires: glew-devel
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BuildRequires: glm-devel
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BuildRequires: msgpack-cxx-devel
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BuildRequires: libpng-devel
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BuildRequires: libxml2-devel
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BuildRequires: mmtf-cpp-devel
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BuildRequires: netcdf-devel
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BuildRequires: python-rpm-macros
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%if %{with test}
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BuildRequires: Catch2-2-devel
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BuildRequires: %{python_module Pillow}
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## tests need recent biopython not available in Leap
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%if 0%{?sle_version} >= 150500 && 0%{?is_opensuse}
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%else
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BuildRequires: %{python_module biopython}
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%endif
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BuildRequires: %{python_module pytest}
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%endif
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Requires: python-numpy
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Requires: python-qt5
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Requires: python-pmw
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Requires(post): update-alternatives
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Requires(postun):update-alternatives
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Obsoletes: pymol < %{version}
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Provides: pymol = %{version}
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%python_subpackages
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%description
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PyMOL is a molecular graphics system targetted at medium to large
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biomolecules like proteins. It can generate molecular graphics
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images and animations.
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Features include:
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* Visualization of molecules, molecular trajectories and surfaces
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of crystallography data or orbitals
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* Molecular builder and sculptor
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* Internal raytracer and movie generator
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* Fully extensible and scriptable via a python interface
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The file formats PyMOL can read include PDB, XYZ, CIF, MDL Molfile,
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ChemDraw, CCP4 maps, XPLOR maps and Gaussian cube maps.
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%prep
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%setup -q -n %{modname}-%{version}
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%autopatch -p1
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%build
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export CXXFLAGS="%{optflags} -fno-strict-aliasing"
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%python_build %{?with_test:--testing}
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%install
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%python_install
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%python_clone -a %{buildroot}%{_bindir}/pymol
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%python_expand %fdupes %{buildroot}%{$python_sitearch}
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%check
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%if %{with test}
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## TestExporting.testglTF requires a special executable from Schrodinger
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sed -e '/def testglTF(self):/,+7d' -i testing/tests/api/exporting.py
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%if 0%{?sle_version} >= 150500 && 0%{?is_opensuse}
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## TestSeqalign needs recent biopython not available in Leap
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rm testing/tests/api/seqalign.py
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## fails on Leap, but freemol is unused anyway
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rm testing/tests/system/freemol_.py
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## default pytest / python on leap are too old...
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sed -e '/--import-mode=importlib/d' -i testing/pytest.ini
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%endif
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## pymol -ckqy testing/testing.py --run all
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PYTHONPATH=%{buildroot}%{python_sitearch} python%{python_version} -m pymol -ckqy testing/testing.py --offline --run all
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%endif
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%post
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%python_install_alternative pymol
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%postun
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%python_uninstall_alternative pymol
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%files %{python_files}
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%doc README ChangeLog
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%license LICENSE
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%python_alternative %{_bindir}/pymol
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%{python_sitearch}*
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%changelog
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