Change log for gromacs package in Ubuntu

gromacs (2023.3-1ubuntu3) noble; urgency=medium

  * No-change rebuild for CVE-2024-3094

 -- Steve Langasek <email address hidden>  Sun, 31 Mar 2024 18:19:33 +0000

Available diffs

• diff from 2023.3-1ubuntu2 to 2023.3-1ubuntu3 (311 bytes)

gromacs (2023.3-1ubuntu2) noble; urgency=medium

  * No-change rebuild against libopenmpi3t64

 -- Steve Langasek <email address hidden>  Wed, 13 Mar 2024 18:26:16 +0000

Available diffs

• diff from 2023.3-1ubuntu1 to 2023.3-1ubuntu2 (328 bytes)

gromacs (2023.3-1ubuntu1) noble; urgency=medium

  * Merge from Debian unstable.  Remaining changes:
    - Force use of gcc-11 on ppc64el to work around failures.

 -- Steve Langasek <email address hidden>  Wed, 06 Dec 2023 11:18:27 -0800

Available diffs

• diff from 2023.1-2ubuntu1 to 2023.3-1ubuntu1 (227.8 KiB)
• diff from 2023.3-1 (in Debian) to 2023.3-1ubuntu1 (1.5 KiB)

gromacs (2023.3-1) unstable; urgency=medium

  * New upstream release.
    - Remove erfinv-portability.patch, included in this release.

 -- Nicholas Breen <email address hidden>  Thu, 26 Oct 2023 08:55:23 -0700

gromacs (2023.1-2ubuntu1) mantic; urgency=low

  * Merge from Debian unstable. Remaining changes:
    - Force use of gcc-11 on ppc64el to work around failures.

Available diffs

• diff from 2022.5-2ubuntu1 to 2023.1-2ubuntu1 (4.3 MiB)

gromacs (2022.5-2ubuntu1) lunar; urgency=medium

  * Force use of gcc-11 on ppc64el to work around failures.

 -- Steve Langasek <email address hidden>  Wed, 01 Mar 2023 18:13:05 +0000

Available diffs

• diff from 2022.2-1 (in Debian) to 2022.5-2ubuntu1 (99.3 KiB)
• diff from 2022.5-2 (in Debian) to 2022.5-2ubuntu1 (1.0 KiB)

gromacs (2022.5-2) unstable; urgency=medium

  * Move /usr/share/gromacs/cmake/* to /usr/share/cmake.

 -- Nicholas Breen <email address hidden>  Wed, 15 Feb 2023 22:01:51 -0800

Available diffs

• diff from 2022.5-1 to 2022.5-2 (398 bytes)

gromacs (2022.5-1) unstable; urgency=medium

  * New upstream release.
  * Restore muparser patch - otherwise depends on version not yet
    packaged.
  * Update Standards-Version to 4.6.2, no changes required.
  * debian/copyright: Update years.

 -- Nicholas Breen <email address hidden>  Sat, 04 Feb 2023 10:00:05 -0800

Available diffs

• diff from 2022.4-2 to 2022.5-1 (66.1 KiB)

gromacs (2022.4-2) unstable; urgency=medium

  * Update Depends: for libgromacs-dev from fftw3-dev to libfftw3-dev.

 -- Nicholas Breen <email address hidden>  Wed, 30 Nov 2022 21:02:26 -0800

Available diffs

• diff from 2022.4-1 to 2022.4-2 (487 bytes)

gromacs (2022.4-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Thu, 17 Nov 2022 21:25:29 -0800

Available diffs

• diff from 2022.3-1 to 2022.4-1 (20.1 KiB)

gromacs (2022.3-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Fri, 02 Sep 2022 17:59:14 -0700

gromacs (2022.2-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Sat, 18 Jun 2022 08:56:59 -0700

Available diffs

• diff from 2021.4-2 to 2022.2-1 (8.5 MiB)
• diff from 2022.1-3 to 2022.2-1 (39.7 KiB)

gromacs (2022.1-3) unstable; urgency=medium

  * debian/rules: Tidy up file installation.
  * Update Standards-Version to 4.6.1, no changes needed.
  * Additionally restrict autopkgtests to 64-bit architectures only.

 -- Nicholas Breen <email address hidden>  Tue, 14 Jun 2022 12:30:32 -0700

Available diffs

• diff from 2022.1-2 to 2022.1-3 (3.7 KiB)

gromacs (2022.1-2) unstable; urgency=medium

  * Upload to unstable.
  * Reduce optimization level on ia64 to -O2.

 -- Nicholas Breen <email address hidden>  Mon, 16 May 2022 19:23:41 -0700

gromacs (2021.4-2) unstable; urgency=medium

  * Cherry-pick upstream merge request 2172, widening tolerance for one
    build-time test (GammaDistributionTest.Output) that fails on a few
    architectures.

 -- Nicholas Breen <email address hidden>  Mon, 08 Nov 2021 18:00:11 -0800

Available diffs

• diff from 2020.6-2 to 2021.4-2 (3.2 MiB)
• diff from 2021.4-1 to 2021.4-2 (920 bytes)

gromacs (2021.4-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Sat, 06 Nov 2021 16:33:33 -0700

Available diffs

• diff from 2021.3-4 to 2021.4-1 (165.9 KiB)

gromacs (2021.3-4) unstable; urgency=medium

  * Add Build-Depends-Indep: tex-gyre.  (Closes: #997067)

 -- Nicholas Breen <email address hidden>  Sat, 23 Oct 2021 11:18:36 -0700

Available diffs

• diff from 2021.3-3 to 2021.3-4 (460 bytes)

gromacs (2021.3-3) unstable; urgency=medium

  * With GCC 10.3 in testing for all release architectures, drop the GCC 9
    workaround for mipsel and mips64el. (Closes: #994290)
  * gromacs-data.lintian-overrides: Drop override for spare-manual-page;
    lintian now recognizes subcommands.

 -- Nicholas Breen <email address hidden>  Sat, 18 Sep 2021 08:17:59 -0700

gromacs (2020.6-2) unstable; urgency=medium

  * Append newlines when concatenating bash completions.
    (Closes: #985157) 

 -- Nicholas Breen <email address hidden>  Sun, 28 Mar 2021 21:45:03 -0700

Available diffs

• diff from 2020.6-1 to 2020.6-2 (636 bytes)

gromacs (2020.6-1) unstable; urgency=medium

  * New upstream release, minor bugfixes only.

 -- Nicholas Breen <email address hidden>  Thu, 04 Mar 2021 08:32:41 -0800

Available diffs

• diff from 2020.5-4 to 2020.6-1 (9.8 KiB)

gromacs (2020.5-4) unstable; urgency=medium

  * One more stab at handling s390x test failures: just set the mpich
    tests to non-failing for now - see #981342, #980943.
  * Re-enable those same tests for armhf.

 -- Nicholas Breen <email address hidden>  Sun, 31 Jan 2021 16:03:07 -0800

Available diffs

• diff from 2020.4-2 to 2020.5-4 (4.8 MiB)
• diff from 2020.5-3 to 2020.5-4 (624 bytes)

gromacs (2020.5-3) unstable; urgency=medium

  * d/patches/mdrun-test-timeout.patch: Additionally extend ARG_SLOW_TEST
    timeout to 960 seconds.

 -- Nicholas Breen <email address hidden>  Sun, 31 Jan 2021 09:05:58 -0800

Available diffs

• diff from 2020.5-2 to 2020.5-3 (783 bytes)

gromacs (2020.5-2) unstable; urgency=medium

  * Set double-precision tests on i386 to non-failing.  The proper fix is
    already applied upstream in the 2021 branch, but hasn't yet been
    backported to 2020.

 -- Nicholas Breen <email address hidden>  Sat, 30 Jan 2021 10:46:55 -0800

Available diffs

• diff from 2020.5-1 to 2020.5-2 (732 bytes)

gromacs (2020.5-1) unstable; urgency=medium

  * New upstream release. 
  * Import from 2021 packaging branch:
    - Use upstream regression tests for autopkgtests.
    - Update URLs in watch file.
    - Remove build-time tests for MPI + double precision variants.
    - Clean up unneeded *.md5/*.map files from doxygen output (directory
      structure not compatible with dh_doxygen).
  * Build-Depend on mpich (>= 3.4-5) to avoid FTBFS, see #980634.
  * Update Standards-Version to 4.5.1, no changes required.

 -- Nicholas Breen <email address hidden>  Sat, 23 Jan 2021 10:57:26 -0800

Available diffs

• diff from 2020.4-2 to 2020.5-1 (4.8 MiB)

gromacs (2020.4-2) unstable; urgency=medium

  * debian/patches/disable-listed-forces-test.patch: Do exactly what the
    filename suggests.  These tests are unreliable and cause erratic
    FTBFSes; this workaround is temporary only until an upstream rewrite
    is complete.

 -- Nicholas Breen <email address hidden>  Wed, 21 Oct 2020 18:42:01 -0700

Available diffs

• diff from 2020.4-1 to 2020.4-2 (1.1 KiB)

gromacs (2020.4-1) unstable; urgency=medium

  * New upstream release.
  * Update the changed names of lintian spelling tags.
  * Increment debhelper compat level to 13.

 -- Nicholas Breen <email address hidden>  Wed, 07 Oct 2020 14:01:15 -0700

Available diffs

• diff from 2020.3-1 to 2020.4-1 (28.7 KiB)

gromacs (2020.3-1) unstable; urgency=medium

  * New upstream release.
  * Update the *comments* in several lintian overrides, there to explain
    a false positive on spelling-error-in-binary, but now generating a
    false positive of their own through spelling-in-override-comment.

 -- Nicholas Breen <email address hidden>  Thu, 09 Jul 2020 20:25:34 -0700

Available diffs

• diff from 2020.2-2 to 2020.3-1 (19.4 KiB)

gromacs (2020.2-2) unstable; urgency=medium

  * Disable VSX support on ppc64el - currently unsupported, see
    <http://redmine.gromacs.org/issues/3380>.
  * Bump baseline SIMD requirement on amd64 and x32 to SSE4.2.

 -- Nicholas Breen <email address hidden>  Thu, 30 Apr 2020 17:22:36 -0700

Available diffs

• diff from 2020.1-1 to 2020.2-2 (43.7 KiB)

gromacs (2020-2build1) focal; urgency=medium

  * No-change rebuild for libgcc-s1 package name change.

 -- Matthias Klose <email address hidden>  Tue, 24 Mar 2020 15:04:36 +0100

Available diffs

• diff from 2020-2 (in Debian) to 2020-2build1 (306 bytes)

gromacs (2020.1-1) unstable; urgency=medium

  * New upstream release.
  * Remove debian/patches/doxygen.patch, fixed upstream.

 -- Nicholas Breen <email address hidden>  Sat, 07 Mar 2020 20:11:53 -0800

Available diffs

• diff from 2020-2build1 (in Ubuntu) to 2020.1-1 (214.3 KiB)

gromacs (2020-2) unstable; urgency=medium

  * Upload to unstable.
  * debian/man/mdrun_mpi.*.1: Update from gmx-mdrun(1).
  * Install legacy API (GMX_INSTALL_LEGACY_API) from non-MPI builds, for
    compatibility with votca-csg requiring gromacs/version.h.
  * Bump Standards-Version to 4.5.0, no changes required.

 -- Nicholas Breen <email address hidden>  Mon, 20 Jan 2020 18:44:53 -0800

Available diffs

• diff from 2019.4-1build1 (in Ubuntu) to 2020-2 (12.0 MiB)

gromacs (2019.4-1build1) focal; urgency=medium

  * No-change rebuild against libhwloc5.

 -- Rik Mills <email address hidden>  Sun, 29 Dec 2019 08:22:04 +0000

Available diffs

• diff from 2019.4-1 (in Debian) to 2019.4-1build1 (306 bytes)

gromacs (2019.4-1) unstable; urgency=medium

  [ Steffen Möller ]
  * debian/upstream/metadata: Added ref to conda.

  [ Nicholas Breen ]
  * New upstream release.
  * debian/control: Remove Breaks/Conflicts/Replaces older than oldstable.

 -- Nicholas Breen <email address hidden>  Wed, 02 Oct 2019 13:31:30 -0700

Available diffs

• diff from 2019.3-2 to 2019.4-1 (22.1 KiB)

gromacs (2019.3-2) unstable; urgency=medium

  * debian/patches/arm64-disable-numa-test.patch: On *some* arm64 boards,
    hwloc (1.x) reports zero NUMA cache sizes, causing a test failure.
    This disables that test on arm64 only.
    Upstream: <https://redmine.gromacs.org/issues/2366>
  * debian/patches/mpi-tests-localhost.patch: Run MPICH tests on "localhost"
    so that they pass in certain network-restricted environments, such as
    pbuilder with USENETWORK=NO set.  (buildd always worked fine.)

 -- Nicholas Breen <email address hidden>  Fri, 12 Jul 2019 18:57:43 -0700

Available diffs

• diff from 2019.3-1 to 2019.3-2 (2.0 KiB)

gromacs (2019.3-1) unstable; urgency=medium

  * New upstream release.
  * Bump debhelper compat version to 12 and Standards-Version to 4.4.0.
  * debian/rules: Add dh_strip_nondeterminism and dh_dwz calls.  Remove
    CMAKE_SKIP_RPATH workaround, no longer needed.
  * debian/copyright: Housekeeping update.
  * debian/*.lintian-overrides: Permit CONECT spelling, from the PDB file
    format.

 -- Nicholas Breen <email address hidden>  Tue, 09 Jul 2019 21:09:26 -0700

Available diffs

• diff from 2019.1-1 to 2019.3-1 (44.7 KiB)

gromacs (2019.1-1) unstable; urgency=medium

  * New upstream bugfix release.
  * On x32 only, set openmpi tests to non-failing.  They pass, but as of
    openmpi >= 3.1.3~rc1, timeout on teardown.  3.1.2 works cleanly.

 -- Nicholas Breen <email address hidden>  Sun, 17 Feb 2019 09:22:14 -0800

Available diffs

• diff from 2019-2 to 2019.1-1 (35.7 KiB)

gromacs (2019-2) unstable; urgency=medium

  * Fix error in update-alternatives call for bash completion.

 -- Nicholas Breen <email address hidden>  Fri, 01 Feb 2019 21:26:58 -0800

Available diffs

• diff from 2018.4-1 to 2019-2 (25.7 MiB)
• diff from 2019-1 to 2019-2 (588 bytes)

gromacs (2019-1) unstable; urgency=medium

  * New upstream final release - return uploads to unstable.
  * Install bash completion files.  Add completion files for the MPI
    variants to the update-alternatives group.
  * Remove unused GMXRC* files and the /usr/share/gromacs/shell-specific
    directory, as they are unneeded with binaries in the standard locations.
  * Bump Standards-Version to 4.3.0, no changes required.
  * Drop B-D on libtinyxml-dev, as a specific version of libtinyxml2 is
    used instead only for testing, not in shipped binaries.

 -- Nicholas Breen <email address hidden>  Tue, 01 Jan 2019 20:03:55 -0800

Available diffs

• diff from 2018.4-1 to 2019-1 (25.7 MiB)

gromacs (2018.4-1) unstable; urgency=medium

  * New upstream release.
  * Bump Standards-Version to 4.2.1, no changes required.

 -- Nicholas Breen <email address hidden>  Wed, 21 Nov 2018 16:01:14 -0800

Available diffs

• diff from 2018.3-1ubuntu1 (in Ubuntu) to 2018.4-1 (20.1 KiB)

gromacs (2018.3-1ubuntu1) cosmic; urgency=medium

  * Disable btl:no-nics warning to prevent FTBFS

 -- Graham Inggs <email address hidden>  Fri, 24 Aug 2018 08:38:27 +0000

Available diffs

• diff from 2018.2-2 (in Debian) to 2018.3-1ubuntu1 (40.3 KiB)
• diff from 2018.3-1 (in Debian) to 2018.3-1ubuntu1 (815 bytes)

gromacs (2018.3-1) unstable; urgency=medium

  * New upstream release.
  * Bump Standards-Version to 4.2.0, no changes required.

 -- Nicholas Breen <email address hidden>  Thu, 23 Aug 2018 08:55:48 -0700

Available diffs

• diff from 2018.2-2 to 2018.3-1 (39.8 KiB)

gromacs (2018.2-2) unstable; urgency=medium

  * Disable tests on armhf for mpich build; it seems to have a sensitivity
    to where mpich itself was built.

 -- Nicholas Breen <email address hidden>  Sun, 17 Jun 2018 16:43:08 -0700

Available diffs

• diff from 2018.1-4 to 2018.2-2 (37.3 KiB)
• diff from 2018.2-1 to 2018.2-2 (609 bytes)

gromacs (2018.2-1) unstable; urgency=medium

  [ Steffen Möller ]
  * Updated RRID in debian/upstream/metadata.

  [ Nicholas Breen ]
  * New upstream release. 

 -- Nicholas Breen <email address hidden>  Sat, 16 Jun 2018 10:24:50 -0700

Available diffs

• diff from 2018.1-4build1 (in Ubuntu) to 2018.2-1 (37.0 KiB)

gromacs (2018.1-4build1) cosmic; urgency=medium

  * No-change rebuild for dune openmpi soname change.

 -- Matthias Klose <email address hidden>  Sun, 13 May 2018 21:46:55 +0000

Available diffs

• diff from 2018.1-4 (in Debian) to 2018.1-4build1 (346 bytes)

gromacs (2018.1-4) unstable; urgency=medium

  * Additionally exclude MdrunUtilityMpiUnitTests on OpenMPI builds only,
    which fail erratically.
  * Set Rules-Requires-Root: no.
  * patches/sphinx-version-detect.patch: permit identification of newer
    versions of python-sphinx, which changed their --version output.

 -- Nicholas Breen <email address hidden>  Sat, 28 Apr 2018 08:25:15 -0700

Available diffs

• diff from 2018.1-1 to 2018.1-4 (3.9 KiB)

gromacs (2018.1-1) unstable; urgency=medium

  * New upstream release.
  * Remove gtest-death-test.patch, incorporated upstream.
  * Moved VCS from alioth to salsa (thanks to Andreas Tille).

 -- Nicholas Breen <email address hidden>  Sat, 31 Mar 2018 10:12:46 -0700

Available diffs

• diff from 2018-2 to 2018.1-1 (98.2 KiB)

gromacs (2018-2) unstable; urgency=medium

  * Extend gtest-death-test.patch to exclude x32.  This addresses #887340
    but is not a complete fix.  Thanks to Aaron Ucko for testing assistance.
  * Increase CTest verbosity level.

 -- Nicholas Breen <email address hidden>  Sat, 20 Jan 2018 11:31:44 -0800

Available diffs

• diff from 2016.4-1 to 2018-2 (3.3 MiB)
• diff from 2018-1 to 2018-2 (1.5 KiB)

gromacs (2018-1) unstable; urgency=low

  * New upstream release.
    - Remove test_GMX_ALIGNED.patch, incorporated.
    - Update debian/man/*mdrun* man pages.
  * Bump Standards-Version to 4.1.3.

 -- Nicholas Breen <email address hidden>  Wed, 10 Jan 2018 22:23:18 -0800

gromacs (2016.4-1) unstable; urgency=medium

  * New upstream release.
  * Bump Standards-Version to 4.1.0.  Set Priority to optional.
  * Drop Multi-Arch: same for libgromacs-dev, it seems to have some per-arch
    conflicts from autogenerated files.
  * Depend on sse2-support [any-i386] | neon-support [armhf], for the minimum
    useful levels of SIMD support on those architectures.  Also enable NEON
    for arm64.
  * Set hardening options BINDNOW and PIE.

 -- Nicholas Breen <email address hidden>  Sun, 17 Sep 2017 10:29:19 -0700

Available diffs

• diff from 2016.3-2 to 2016.4-1 (66.9 KiB)

gromacs (2016.3-2) unstable; urgency=medium

  * Upload to unstable after the stretch release.
  * Remove the old gromacs-dev metapackage, now that it's passed one stable
    release with libgromacs-dev available.  Also remove some old Breaks:
    from well before oldstable.
  * Set Multi-Arch: foreign for gromacs-data, M-A: same for gromacs-dev and
    libgromacs2.

 -- Nicholas Breen <email address hidden>  Sun, 18 Jun 2017 13:32:39 -0700

Available diffs

• diff from 2016.3-1 to 2016.3-2 (1.0 KiB)

gromacs (2016.3-1) experimental; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Wed, 15 Mar 2017 21:18:12 -0700

Available diffs

• diff from 2016.2-1 to 2016.3-1 (22.2 KiB)

gromacs (2016.2-1) experimental; urgency=medium

  * New upstream release.  Uploaded to experimental during freeze.
  * Remove dh_shlibdeps workaround introduced in 2016~rc1-3, which is fixed
    via the MPI implementations now.
  * Remove old .NOTPARALLEL restriction when building.
  * Use chrpath to remove RUNPATH on OpenMPI binaries -- see
    <https://github.com/open-mpi/ompi/issues/521>.

 -- Nicholas Breen <email address hidden>  Wed, 08 Feb 2017 17:58:11 -0800

Available diffs

• diff from 2016.1-2 to 2016.2-1 (38.1 KiB)

gromacs (2016.1-2) unstable; urgency=medium

  * Disable OpenMPI tests on hurd-i386/kfreebsd-*.  This appears related to
    <https://bugs.debian.org/839387>.
  * Move to debhelper compat version 10, requiring no changes.
  * Drop some obsolete lintian overrides, and add a pair for zero-length
    documentation files not yet shipped.
  * Update debian/copyright.

 -- Nicholas Breen <email address hidden>  Sun, 30 Oct 2016 17:12:11 -0700

Available diffs

• diff from 2016-3build1 (in Ubuntu) to 2016.1-2 (71.8 KiB)

gromacs (2016-3build1) zesty; urgency=medium

  * No-change rebuild against libopenmpi2

 -- Steve Langasek <email address hidden>  Sat, 22 Oct 2016 01:31:46 +0000

Available diffs

• diff from 2016-3 (in Debian) to 2016-3build1 (556 bytes)

gromacs (2016-3) unstable; urgency=medium

  * rules: Adjust SIMD detection logic to set GMX_SIMD=None by default, and
    enable it case-by-case only on those architectures where it's safe to
    do so.  (Closes: #834991)
  * Work around OpenMPI 2 test failures:  (Closes: #837061)
    - control: Add openmpi-bin to Build-Depends.
    - rules: Apply the OMPI_MCA_plm_rsh_agent workaround from #494046.

 -- Nicholas Breen <email address hidden>  Thu, 08 Sep 2016 19:38:53 -0700

Available diffs

• diff from 2016-2ubuntu1 (in Ubuntu) to 2016-3 (1.5 KiB)

gromacs (2016-2ubuntu1) yakkety; urgency=medium

  * Disable SIMD on armhf to avoid a FTBFS on the Ubuntu buildds
    which have NEON while the Debian buildds do not.

 -- Graham Inggs <email address hidden>  Sun, 21 Aug 2016 10:35:58 +0200

Available diffs

• diff from 5.1.3-1 (in Debian) to 2016-2ubuntu1 (4.7 MiB)
• diff from 2016-2 (in Debian) to 2016-2ubuntu1 (609 bytes)

gromacs (2016-2) unstable; urgency=medium

  * Accept DEB_BUILD_OPTIONS=nocheck for the "build-openmpi" target, which
    was missing and causing m68k build failures.  (Closes: #834786)
  * patches/hurd-disable-numa-test.patch: On hurd-i386 only, this test fails
    for what seem to be detection limitations rather than an actual problem,
    so disable the test conditionally on that architecture.

 -- Nicholas Breen <email address hidden>  Fri, 19 Aug 2016 08:52:08 +0200

Available diffs

• diff from 2016-1 to 2016-2 (1.3 KiB)

gromacs (2016-1) unstable; urgency=low

  * New upstream release, upload to unstable.
    - Remove patches/gmxManageSimd.patch, incorporated upstream.

 -- Nicholas Breen <email address hidden>  Tue, 09 Aug 2016 06:06:12 -0700

Available diffs

• diff from 5.1.3-1 to 2016-1 (4.7 MiB)

gromacs (5.1.3-1) unstable; urgency=medium

  * New upstream maintenance release.
    - Remove patches/spelling.patch and empty-man7-directory.patch,
      incorporated upstream.
  * control: Update Standards-Version to 3.9.8, no changes required.
  * rules: Apply dh_shlibdeps workaround for #831442.

 -- Nicholas Breen <email address hidden>  Sat, 23 Jul 2016 17:19:36 -0700

Available diffs

• diff from 5.1.2-1ubuntu1 (in Ubuntu) to 5.1.3-1 (119.8 KiB)

gromacs (5.1.2-1ubuntu1) xenial; urgency=medium

  * Limit parallel build to 2 jobs for amd64 to avoid FTBFS while building
    doxygen documentation on Ubuntu buildds.

 -- Graham Inggs <email address hidden>  Tue, 05 Apr 2016 22:41:20 +0200

Available diffs

• diff from 5.1.1-2build1 to 5.1.2-1ubuntu1 (49.8 KiB)
• diff from 5.1.2-1 (in Debian) to 5.1.2-1ubuntu1 (798 bytes)

gromacs (5.1.2-1) unstable; urgency=medium

  * New upstream release.
  * Add hppa, s390x, x32 to list of architectures for gromacs-openmpi.
    In turn, increase required version of libopenmpi-dev to >= 1.10.2-7.
  * Add new patches/reproducible-builds.patch for... reproducible builds.
    This is preliminary work and may not be complete.
  * doxygen.patch: work around FTBFS with doxygen >= 1.8.11 (no problems
    with previous 1.8.9).  (Closes: #815678)
  * spelling.patch: Additional fixes.
  * Update Standards-Version to 3.9.7, no changes required.

 -- Nicholas Breen <email address hidden>  Sun, 28 Feb 2016 13:31:21 -0800

Available diffs

• diff from 5.1.1-2build1 (in Ubuntu) to 5.1.2-1 (49.3 KiB)

gromacs (5.1.1-2build1) xenial; urgency=medium

  * No-change rebuild for openmpi transition.

 -- Matthias Klose <email address hidden>  Sun, 07 Feb 2016 12:56:22 +0000

Available diffs

• diff from 5.1.1-2 (in Debian) to 5.1.1-2build1 (344 bytes)

gromacs (5.1.1-2) unstable; urgency=medium

  * Replace compiler calls to "mpic++" with "mpicxx".  MPICH >= 3.2 no
    longer ships mpic++ links.  (Closes: #808659)
  * Remove obsolete build dependency on libgsl0-dev.

 -- Nicholas Breen <email address hidden>  Tue, 22 Dec 2015 17:18:40 -0800

Available diffs

• diff from 5.1.1-1 to 5.1.1-2 (987 bytes)

gromacs (5.1.1-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Mon, 09 Nov 2015 17:24:02 -0800

Available diffs

• diff from 5.1-1 to 5.1.1-1 (31.3 KiB)

gromacs (5.1-1) unstable; urgency=low

  * New upstream release.  This release completes the transition to "gmx"
    as the sole binary to replace all the former g_* commands, and the
    compatibility symlinks have been removed.  Standalone mdrun_mpi
    programs in gromacs-mpich and gromacs-openmpi are unaffected.
    - gmx anadock no longer crashes on invalid input.  (Closes: #715934)
  * Some package reshuffling: gromacs-dev becomes libgromacs-dev, and the
    shared library gets split out into libgromacs1.  (Closes: #797744)
    Upload priority set to "low" due to the unusually extensive restructure.
  * Remove gromacs-dev.preinst, only needed for upgrades from well before
    the version in squeeze.
  * Lots more documentation!  PDF manual is built once again, and doxygen
    output for developer use is included.  Several Build-Depends-Indep
    entries added to support this.
    - patches/manpage-hyphenation.patch removed, no longer needed.
    - mdrun_mpi.{mpich,openmpi}.1 updated.
  * debian/control: apply wrap-and-sort.

 -- Nicholas Breen <email address hidden>  Thu, 01 Oct 2015 17:38:08 -0700

Available diffs

• diff from 5.0.6-1 to 5.1-1 (3.3 MiB)

gromacs (5.0.6-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Sun, 26 Jul 2015 13:58:11 -0700

Available diffs

• diff from 5.0.5-1 to 5.0.6-1 (76.5 KiB)

gromacs (5.0.5-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <email address hidden>  Sat, 16 May 2015 11:30:11 -0700

Available diffs

• diff from 5.0.4-2 to 5.0.5-1 (58.8 KiB)

gromacs (5.0.4-2) unstable; urgency=medium

  * Post-Jessie upload to unstable, no other changes.

 -- Nicholas Breen <email address hidden>  Mon, 27 Apr 2015 10:00:09 -0700

Available diffs

• diff from 5.0.2-1 to 5.0.4-2 (51.8 KiB)

gromacs (5.0.2-1) unstable; urgency=medium


  * New upstream release.
  * Update Standards-Version to 3.9.6, no changes required.
  * Update rules to build GPU-accelerated packages, with thanks to
    Steffen Möller.

 -- Nicholas Breen <email address hidden>  Sun, 05 Oct 2014 10:29:34 -0700

Available diffs

• diff from 4.6.6-1 to 5.0.2-1 (30.5 MiB)

gromacs (4.6.6-1) unstable; urgency=medium


  * New upstream release.  Final release of the 4.6 series.
  * debian/copyright: Updated.
  * patches/21_hurd.patch: Incorporated upstream, patch removed.

 -- Nicholas Breen <email address hidden>  Mon, 07 Jul 2014 09:19:44 -0700

Available diffs

• diff from 4.6.5-2 to 4.6.6-1 (83.5 KiB)

gromacs (4.6.5-2) unstable; urgency=medium


  * Update list of OpenMPI architectures to include mips*, arm64. 
  * patches/21_hurd.patch: Cherry-pick upstream commit 2c81d3ab to build
    shared libraries on GNU/Hurd.
  * watch: Extend regex to detect -beta, -pre, _pre, *and* -rc suffixes.
  * Remove chrpath workaround, no longer needed as of mpich 3.0.4-6.

 -- Nicholas Breen <email address hidden>  Mon, 16 Jun 2014 18:48:37 -0700

Available diffs

• diff from 4.6.5-1ubuntu1 (in Ubuntu) to 4.6.5-2 (2.6 KiB)

gromacs (4.6.5-1ubuntu1) utopic; urgency=medium

  * debian/{control,rules}: Build against openmpi on ppc64el and arm64.
 -- Logan Rosen <email address hidden>   Tue, 20 May 2014 02:04:51 -0400

Available diffs

• diff from 4.6.5-1build1 to 4.6.5-1ubuntu1 (1.3 KiB)

gromacs (4.6.5-1build1) trusty; urgency=medium

  * No-change rebuild for libopenmpi1.3 -> libopenmpi1.6 transition.
 -- Logan Rosen <email address hidden>   Sat, 14 Dec 2013 22:57:15 -0500

Available diffs

• diff from 4.6.5-1 (in Debian) to 4.6.5-1build1 (338 bytes)

gromacs (4.6.5-1) unstable; urgency=low


  * New upstream release.
  * rules: Override autodetection of CPU extensions on amd64 and i386; 
    force to SSE2 only, and provide new DEB_BUILD_OPTIONS=cpuopt flag to
    re-enable autodetection for local builds.  (Closes: #725013)
  * rules: Fix misplaced COPYING symlink in gromacs-data.
  * source/lintian-overrides: Add overrides for outstanding lintian bugs
    #729096 (newer policy version), #724866 (libmpich-dev not virtual).
  * patches/20_manpages.patch: Fix formatting errors in the NAME line of
    several man pages.
  * gromacs-data.doc-base: Change root to getting_started.html.  The
    shipped HTML documentation is slowly being eliminated in favor of a
    wiki on gromacs.org.

 -- Nicholas Breen <email address hidden>  Mon, 09 Dec 2013 10:40:36 -0800

Available diffs

• diff from 4.6.3-4 to 4.6.5-1 (242.9 KiB)

gromacs (4.6.3-4) unstable; urgency=low


  * control: Add versioned Build-Depends on libmpich-dev (>= 3), to prevent
    build failures on architectures where that still represents the old 
    MPICH version 1. 
  * rules: More mpich2 -> mpich replacements.

 -- Nicholas Breen <email address hidden>  Sun, 29 Sep 2013 21:39:46 -0700

Available diffs

• diff from 4.6.3-1 to 4.6.3-4 (2.6 KiB)