Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package python-pymol for openSUSE:Factory checked in at 2024-06-27 16:01:26 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/python-pymol (Old) and /work/SRC/openSUSE:Factory/.python-pymol.new.18349 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Package is "python-pymol" Thu Jun 27 16:01:26 2024 rev:11 rq:1183332 version:3.0.0 Changes: -------- --- /work/SRC/openSUSE:Factory/python-pymol/python-pymol.changes 2023-08-18 19:29:53.219480297 +0200 +++ /work/SRC/openSUSE:Factory/.python-pymol.new.18349/python-pymol.changes 2024-06-27 16:02:08.624058692 +0200 @@ -1,0 +2,34 @@ +Tue Jun 18 15:42:12 UTC 2024 - <hsk17@mail.de> + +- update to 3.0.0 + * Panels + - Nucleic Acid Builder supported + - Scenes Panel (Basic version) + - Improved APBS electrostatics plugin integrated + * Distance/Bonding detection + - Halogen-bond detection and display + * Python API + - "fnab" command (sequence to nucleic acid chain) + - Improved CGO builder API + - get_sasa_relative() "subsele" argument added + - new clip modes/API + - iterate() adds "explicit_valence" and "explicit_degree" + - "cell_centered" setting added + - by grid-cell background gradient "bg_gradient=2" + - look_at() added + - experimental "curve_new" / "move_on_curve" + * Developer + - C++17 required + - pymol-testing integrated + - pytest introduced + - Github Actions CI + * And many other fixes and small additions provided by + developers and the community... +- spec file: + * re-add test related stuff as upstream introduced a pytest + based testing + * drop TestExporting.testglTF - requires an executable from + Schrodinger + * on Leap, drop / tweak some tests to fit old package versions + +------------------------------------------------------------------- Old: ---- pymol-open-source-2.5.0.tar.gz New: ---- pymol-open-source-3.0.0.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ python-pymol.spec ++++++ --- /var/tmp/diff_new_pack.TFM5Uw/_old 2024-06-27 16:02:09.344085126 +0200 +++ /var/tmp/diff_new_pack.TFM5Uw/_new 2024-06-27 16:02:09.344085126 +0200 @@ -1,7 +1,7 @@ # # spec file for package python-pymol # -# Copyright (c) 2021 SUSE LLC +# 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 @@ -16,17 +16,18 @@ # +%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: 2.5.0 +Version: 3.0.0 Release: 0 Summary: A Molecular Viewer License: Python-2.0 Group: Productivity/Scientific/Chemistry -URL: https://pymol.org/2/ +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 @@ -34,7 +35,6 @@ Patch1: no-o3.patch BuildRequires: %{python_module devel} BuildRequires: %{python_module numpy-devel} -BuildRequires: %{python_module pytest} BuildRequires: %{python_module qt5-devel} BuildRequires: %{python_module setuptools} BuildRequires: fdupes @@ -48,6 +48,16 @@ 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 @@ -76,23 +86,38 @@ %prep %setup -q -n %{modname}-%{version} %autopatch -p1 + %build export CXXFLAGS="%{optflags} -fno-strict-aliasing" -%python_build +%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 -%check - %files %{python_files} %doc README ChangeLog %license LICENSE ++++++ pymol-open-source-2.5.0.tar.gz -> pymol-open-source-3.0.0.tar.gz ++++++ /work/SRC/openSUSE:Factory/python-pymol/pymol-open-source-2.5.0.tar.gz /work/SRC/openSUSE:Factory/.python-pymol.new.18349/pymol-open-source-3.0.0.tar.gz differ: char 12, line 1