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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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> Wed, 21 Oct 2020 10:14:47 +0800
mdtraj (1.9.4-4) unstable; urgency=medium
* python3-mdtraj [Build-]Depends: python3-tables
-- Drew Parsons <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> 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 <dparsons@debian.org> Mon, 24 Aug 2020 14:05:10 +0800
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