mdtraj (1.9.5-1) unstable; urgency=medium * New upstream release. * Standards-Version: 4.5.1 * debian/tests: skip nmr.ipynb, it requires SPARTA+ which is not available. Closes: #980050. -- Drew Parsons Mon, 18 Jan 2021 16:30:54 +1100 mdtraj (1.9.4+git20201015.068f29a-5) unstable; urgency=medium * debian patch rename-mdconvert-mdtraj.patch renames mdconvert to mdconvert-mdtraj to avoid filename conflict with mdconvert from the isync package. Closes: #973631. -- Drew Parsons Tue, 03 Nov 2020 16:07:00 +0800 mdtraj (1.9.4+git20201015.068f29a-4) unstable; urgency=medium * eliminate automated Testsuite: autopkgtest-pkg-python. Not compatible with incomplete built Architecture set (no armhf). -- Drew Parsons Sun, 01 Nov 2020 00:36:36 +0800 mdtraj (1.9.4+git20201015.068f29a-3) unstable; urgency=medium * set Architecture: any-amd64 arm64 i386 in debian/tests to match debian/control. Otherwise armhf failure prevents migration. -- Drew Parsons Fri, 30 Oct 2020 02:09:33 +0800 mdtraj (1.9.4+git20201015.068f29a-2) unstable; urgency=medium * add debian patches - 32bit_skip_image_molecule.patch skips test_image_molecules in test_trajectory.py on 32-bit systems to avoid segfault in image_molecule (see upstream Issue #1591) - test_order_relax_tol.patch relaxes absolute tolerance in test_order.py::test_directors_angle_from_traj to help i386 pass tests. * restrict python3-mdtraj Architecture: any-amd64 arm64 i386. mdtraj needs SSE2 or NEON. Closes: #972592. -- Drew Parsons Sat, 24 Oct 2020 12:34:12 +0800 mdtraj (1.9.4+git20201015.068f29a-1) unstable; urgency=medium * New upstream snapshot. - adds support for NEON (arm64) * Build-Depends-Indep: python3-ipykernel, python3-jupyter-client, python3-matplotlib, python3-six, python3-sklearn to build docs from examples. Closes: #972635. * set MPLCONFIGDIR to catch matplotlib output for examples in docs and fix doc access to generated image files * Remove local __pycache__ when running debian/rules clean (dh_auto_clean) * predownload .pdb files from http://www.rcsb.org/pdb/files and store in debian/external alongside doi badge (to enable doc build when internet is not available for build) * debian patch reinstate_astor_not_astunparse_revert_a8b2b9c.patch reverts upstream commit a8b2b9c to reinstate astor instead of astunparse (astunparse is not yet packaged for Debian) * create mdconvert.1, mdinspect.1 man pages using help2man -- Drew Parsons Fri, 23 Oct 2020 15:08:19 +0800 mdtraj (1.9.4-6) unstable; urgency=medium * debian patch check_sse2.patch checks if system supports SSE2 (i.e. if system is x86 or amd64) before compiling with -msse2. Closes: #972592. * debian/tests Depends: python3-matplotlib, python3-sklearn -- Drew Parsons Wed, 21 Oct 2020 17:40:20 +0800 mdtraj (1.9.4-5) unstable; urgency=medium * python3-mdtraj Depends: python3-networkx, python3-pandas * debian/tests Depends: python3-ipykernel -- Drew Parsons Wed, 21 Oct 2020 10:14:47 +0800 mdtraj (1.9.4-4) unstable; urgency=medium * python3-mdtraj [Build-]Depends: python3-tables -- Drew Parsons Wed, 21 Oct 2020 01:21:03 +0800 mdtraj (1.9.4-3) unstable; urgency=medium * python3-mdtraj Depends: python3-distutils * debian/tests Depends: python3-jupyter-client, python3-nbformat, python3-six -- Drew Parsons Tue, 20 Oct 2020 20:17:02 +0800 mdtraj (1.9.4-2) unstable; urgency=medium * Build-Depends: cython3 (>= 0.29~), python3-all-dev * build docs with default python, sphinx and Build-Depends-Indep: python3-msmb-theme, python3-nbconvert, python3-nbformat, python3-numpydoc -- Drew Parsons Tue, 20 Oct 2020 13:35:11 +0800 mdtraj (1.9.4-1) unstable; urgency=medium * Initial release (Closes: #962442) * create debian patches - build_dir_pybuild.patch adapts build scripts to allow for pybuild build dir. - python_hashbang.patch sets python hashbang to /usr/bin/python3 in place of /bin/env python - test_gsd_skip.patch skips test_gsd.py in tests (the gsd module is not available, see RFP#966019) * privacy: use local copy of DOI badge doi-10.1016_j.bpj.2015.08.015-blue.svg in docs -- Drew Parsons Mon, 24 Aug 2020 14:05:10 +0800