gromacs (2022.5-2) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Wed, 15 Feb 2023 22:01:51 -0800

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 <nbreen@debian.org>  Sat, 04 Feb 2023 10:00:05 -0800

gromacs (2022.4-2) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Wed, 30 Nov 2022 21:02:26 -0800

gromacs (2022.4-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <nbreen@debian.org>  Thu, 17 Nov 2022 21:25:29 -0800

gromacs (2022.3-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <nbreen@debian.org>  Fri, 02 Sep 2022 17:59:14 -0700

gromacs (2022.2-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 18 Jun 2022 08:56:59 -0700

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 <nbreen@debian.org>  Tue, 14 Jun 2022 12:30:32 -0700

gromacs (2022.1-2) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Mon, 16 May 2022 19:23:41 -0700

gromacs (2022.1-1) experimental; urgency=medium

  * New upstream release.
  * Restore mdrun-test-timeout.patch, to handle slow double-precision
    tests on sparc64.
  * muparser 2.3.3 now in unstable.  Build-Depend on >= 2.3 and remove
    muparser-version.patch.
  * python3-collections-iterable.patch: Replace calls to removed
    collections.Iterable with collections.abc.  (Closes: #1009383)

 -- Nicholas Breen <nbreen@debian.org>  Fri, 22 Apr 2022 18:22:17 -0700

gromacs (2022-1) experimental; urgency=medium

  * New upstream release.  Upload to experimental for NEW processing.
    - Support dropped upstream for 32-bit architectures.  Architecture
      list restricted to 64-bit ports only.  Drop test workarounds for
      removed architectures.
    - libnblib permanently renamed to libnblib_gmx; update package names.
  * Update copyright years and subcomponents.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 26 Feb 2022 16:36:28 -0800

gromacs (2022~rc1-1) experimental; urgency=medium

  * New upstream release candidate.
  * Drop hppa-disable-ewaldunittest.patch.
  * Set build tests on armel and armhf to non-failing - numerous problems
    introduced recently that also appear to be external toolchain issues.
  * Add Recommends: mpi-default-bin to gromacs package.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 29 Jan 2022 10:08:31 -0800

gromacs (2022~beta2-2) experimental; urgency=medium

  * Update autopkgtest script for MPI syntax.
  * disable-gmxtimingtests.patch: Disable GmxTimingTests on mipsel,
    mips64el, and armhf, to avoid a segfault bug in GTest.  The underlying
    bug appears to be a toolchain issue, not in GROMACS proper.

 -- Nicholas Breen <nbreen@debian.org>  Sun, 09 Jan 2022 12:52:25 -0800

gromacs (2022~beta2-1) experimental; urgency=medium

  * New upstream beta release.
    - gmx_x11.patch: Drop, applied upstream.
    - muparser-version.patch: Drop external detection portion, applied
      upstream.
    - i386-disable-specific-tests.patch: Add test bypass for
      LinearChainDataFixture.Multithreading, which appears to be in the
      same category of i386-specific FP precision issues.

 -- Nicholas Breen <nbreen@debian.org>  Tue, 07 Dec 2021 19:29:05 -0800

gromacs (2022~beta1-1) experimental; urgency=medium

  * New upstream beta release.  Upload to experimental.
   - SONAME bump: libgromacs6 -> libgromacs7.
   - Rebase patches; remove gammadistribution-test.patch, incorporated
     upstream.
   - Add new Build-Depends: libmuparser-dev, pkg-config.
   - Set Vcs-Svn to point at "debian-experimental" branch.
  * mdrun-only binaries are no longer supported in v2022.  Merge MPI enabled
    versions of gmx back into the main gromacs package, and eliminate the
    gromacs-mpi package.
  * Update copyright.
  * Apply upstream merge 2232 as gmx_x11.patch, to fix build of X11 tools.
  * muparser-version.patch: Temporarily downgrade muParser version
    requirement from 2.3 to 2.2, as 2.3 is not yet in the archive.  Also
    apply upstream merge 2225 for proper detection of external libmuparser.
  * Re-enable MPI tests on x32.
  * Update README.Debian with the new package layout, and more details about
    the GPU-accelerated local build option.
  * hurd-i386: Set GMX_USE_RDTSCP=OFF.
  * Various cleanups in debian/rules.

 -- Nicholas Breen <nbreen@debian.org>  Fri, 26 Nov 2021 16:24:15 -0800

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 <nbreen@debian.org>  Mon, 08 Nov 2021 18:00:11 -0800

gromacs (2021.4-1) unstable; urgency=medium

  * New upstream release.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 06 Nov 2021 16:33:33 -0700

gromacs (2021.3-4) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Sat, 23 Oct 2021 11:18:36 -0700

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 <nbreen@debian.org>  Sat, 18 Sep 2021 08:17:59 -0700

gromacs (2021.3-2) unstable; urgency=medium

  * Switch to GCC 9 for mips*el, as GCC 11 is not yet available, and
    10.2.1-6 still breaks the build.
  * Add HPPA to the architectures in disable-cpuinfotest.patch.

 -- Nicholas Breen <nbreen@debian.org>  Fri, 20 Aug 2021 13:02:03 -0700

gromacs (2021.3-1) unstable; urgency=medium

  * New upstream release.
  * Upload to unstable again, after bullseye release.
  * Disable NEON SIMD on armhf - removed upstream.
  * Remove long-obsolete gromacs-data Conflicts: on gromacs-doc.
  * Bump Standards-Version to 4.6.0, no changes required.

 -- Nicholas Breen <nbreen@debian.org>  Thu, 19 Aug 2021 19:27:37 -0700

gromacs (2021.2-1) experimental; urgency=medium

  * New upstream release.
    - Includes fixes to gcc-11 build.  (Closes: #984161)
  * Condense from two MPI packages (gromacs-mpich, gromacs-openmpi) to one
    (gromacs-mpi), following src:mpi-defaults.
  * For building the manual, replace ImageMagick with GraphicsMagick, as the
    former now has a security policy blocking conversion from PDF.
  * Switch GCC version from 9 to 11.
  * Restore disable-cpuinfotest.patch - still FTBFSes on a few architectures,
    update to disable test only on them specifically (mips*, sparc64, alpha).
  * Add four more i386-specific test bypasses, and rename enclosing patch
    from i386-disable-waterpol-test to i386-disable-specific-tests.
  * Do not compile tests on RISC-V - compiling the tests themselves is what
    fails, but for what appears to be a tricky GCC ICE on the embedded version
    of libtinyxml2.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 19 Jun 2021 10:28:22 -0700

gromacs (2021.1-1) experimental; urgency=medium

  * New upstream release.
  * Import bash-completions fix from 2020 branch.
  * Re-enable all tests on armhf.
  * hppa only: disable PmeSolveTest from EwaldUnitTests, which appears to
    fail on an architecture-specific lack of FP precision exceeding limits.
  * Drop old workarounds arm64-disable-numa-test.patch and disable-
    cpuinfotest.patch, which seem to be solved by newer hwloc versions.
  * d/upstream/metadata: Add Bug-Database and Repository-Browse URLs.

 -- Nicholas Breen <nbreen@debian.org>  Sun, 18 Apr 2021 11:39:41 -0700

gromacs (2021-2) experimental; urgency=medium

  * Temporarily switch to gcc-9 for the non-MPI builds, to work around an
    ICE bug in gcc-10 10.2.1-6.  A compatible version of gcc-10 is already
    pending in experimental.

 -- Nicholas Breen <nbreen@debian.org>  Sun, 28 Feb 2021 12:04:24 -0800

gromacs (2021-1) experimental; urgency=medium

  * New major upstream release, remaining in experimental during freeze.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 30 Jan 2021 10:45:36 -0800

gromacs (2021~rc1-2) experimental; urgency=medium

  * Remove MPICH workaround from beta3-2, and update Build-Depends to
    mpich (>= 3.4-5); this also avoids a FTBFS with 3.4-4.
  * d/patches/i386-disable-waterpol-test.patch: These specific tests fail
    on i386 (only!) with compiler optimization -O1 or higher; disable them
    for now.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 23 Jan 2021 11:11:25 -0800

gromacs (2021~rc1-1) experimental; urgency=medium

  * New upstream release candidate.
    - Remove disable-mdrunfeptests.patch, fixed in this release.
  * d/watch: Switch from FTP to HTTPS.
  * d/rules: Update links and comments.

 -- Nicholas Breen <nbreen@debian.org>  Wed, 30 Dec 2020 20:47:06 -0800

gromacs (2021~beta3-2) experimental; urgency=medium

  * Simplify build-time testing by removing double precision tests from
    the MPI targets, while maintaining them for the non-MPI version.
  * Additionally set MPICH tests to non-failing on i386, amd64, and armel
    to work around a multifaceted bad interaction between the new conova
    buildds, IPv6, AI_ADDRCONFIG, and MPICH versions through 3.3; see
    <https://lists.debian.org/debian-devel/2020/07/msg00070.html>.  This
    will be reverted once MPICH 3.4 is in sid.
  * Clean up unneeded *.md5/*.map files from doxygen output (directory
    structure is not compatible with dh_doxygen for this task).

 -- Nicholas Breen <nbreen@debian.org>  Sun, 06 Dec 2020 19:51:20 -0800

gromacs (2021~beta3-1) experimental; urgency=medium

  * New upstream beta release.
    - Remove 2021beta-*.patch, incorporated upstream.
  * Include upstream regression tests, and use them for newly-implemented
    autopkg tests.
  * Update Standards-Version to 4.5.1, no changes required.
  * Re-enable openmpi tests on x32 - corrected in a more recent OpenMPI
    release.

 -- Nicholas Breen <nbreen@debian.org>  Sat, 05 Dec 2020 14:44:45 -0800

gromacs (2021~beta2-2) experimental; urgency=medium

  * Split libnblib off into its own package.  (Closes: #973639)
  * Disable building of gmxapi for now - further packaging work needed
    to make it genuinely useful, with proper Python integration.
  * d/patches/2021beta-dynamic-linking.patch: Exchange fix in previous
    release for the proposed patch upstream.
  * d/patches/2021beta-x32-instructions.patch: A recent commit breaks on
    x32 systems.  Test for those systems and avoid.
  * Extend ARG_SLOW_TEST even further to 1920 seconds.
  * Enable hwloc support.

 -- Nicholas Breen <nbreen@debian.org>  Sun, 15 Nov 2020 16:13:16 -0800

gromacs (2021~beta2-1) experimental; urgency=medium

  * New upstream beta release.
    - Remove versioning-for-nblib.patch, incorporated in this release.
    - libnblib SONAME corrected to 0.2.0.  (Closes: #973639)
  * Set GMX_PREFER_STATIC_LIBS=OFF to avoid statically linking zlib in
    the MPI targets.

 -- Nicholas Breen <nbreen@debian.org>  Wed, 11 Nov 2020 16:29:01 -0800

gromacs (2021~beta1-1) experimental; urgency=medium

  * New upstream beta release.
    - SONAME bump: libgromacs5 -> libgromacs6.
    - Rebase patches; remove disable-listed-forces-test.patch.
    - Update copyright and man pages.
    - Don't build nblib API yet.
  * Extend ARG_SLOW_TEST timeout from 480 to 960 seconds - occasionally
    times out on slower buildds.
  * debian/patches/disble-mdrunfeptests.patch: known problems in this release,
    under work upstream.
  * d/p/versioning-for-nblib.patch: apply versioning patch to libnblib.so.

 -- Nicholas Breen <nbreen@debian.org>  Tue, 27 Oct 2020 21:53:16 -0700

gromacs (2020.6-2) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Sun, 28 Mar 2021 21:45:03 -0700

gromacs (2020.6-1) unstable; urgency=medium

  * New upstream release, minor bugfixes only.

 -- Nicholas Breen <nbreen@debian.org>  Thu, 04 Mar 2021 08:32:41 -0800

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 <nbreen@debian.org>  Sun, 31 Jan 2021 16:03:07 -0800

gromacs (2020.5-3) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Sun, 31 Jan 2021 09:05:58 -0800

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 <nbreen@debian.org>  Sat, 30 Jan 2021 10:46:55 -0800

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 <nbreen@debian.org>  Sat, 23 Jan 2021 10:57:26 -0800

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 <nbreen@debian.org>  Wed, 21 Oct 2020 18:42:01 -0700

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 <nbreen@debian.org>  Wed, 07 Oct 2020 14:01:15 -0700

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 <nbreen@debian.org>  Thu, 09 Jul 2020 20:25:34 -0700

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 <nbreen@debian.org>  Thu, 30 Apr 2020 17:22:36 -0700

gromacs (2020.2-1) unstable; urgency=medium

  * New upstream release.
  * Remove explicit --as-needed linker flag, now toolchain default.

 -- Nicholas Breen <nbreen@debian.org>  Thu, 30 Apr 2020 12:46:01 -0700

gromacs (2020.1-1) unstable; urgency=medium

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

 -- Nicholas Breen <nbreen@debian.org>  Sat, 07 Mar 2020 20:11:53 -0800

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 <nbreen@debian.org>  Mon, 20 Jan 2020 18:44:53 -0800

gromacs (2020-1) experimental; urgency=medium

  * New upstream release.
  * debian/patches/doxygen.patch: Update with a workaround for a build
    failure using doxygen >= 1.8.16.
  * Set GMX_VERSION_STRING_OF_FORK to a combination of the distro name
    (Debian, Ubuntu, ...) and package version number. Add Build-Depends
    on lsb-release for the tools providing the distro information.
  * debian/copyright: Update.
  * debian/gromacs-data.lintian-overrides: Add override for false
    positives on "manpage-without-executable" tag.

 -- Nicholas Breen <nbreen@debian.org>  Sun, 05 Jan 2020 11:51:57 -0800

gromacs (2020~beta3-1) experimental; urgency=medium

  * New upstream beta release.
  * Remove last four patches, incorporated upstream.

 -- Nicholas Breen <nbreen@debian.org>  Tue, 03 Dec 2019 20:01:45 -0800

gromacs (2020~beta2-2) experimental; urgency=medium

  * Additional patch relax-bd-test-tolerances.patch for amd64 test
    failures. <https://gerrit.gromacs.org/c/gromacs/+/14479>

 -- Nicholas Breen <nbreen@debian.org>  Thu, 28 Nov 2019 14:19:39 -0800

gromacs (2020~beta2-1) experimental; urgency=medium

  * New upstream beta release.
  * Add patches from <http://redmine.gromacs.org/issues/3205>:
    - hwloc-cache-size-detection.patch from revision c5a01a73
    - relax-listed-forces-test-tolerances.patch from
      <https://gerrit.gromacs.org/c/gromacs/+/14319>
    - updated-physical-constants.patch from revision 536052b4

 -- Nicholas Breen <nbreen@debian.org>  Sat, 23 Nov 2019 11:56:52 -0800

gromacs (2020~beta1-2) experimental; urgency=medium

  * debian/patches/series: Re-enable disable-cpuinfotest.patch, as it's
    still relebant on arm64/mips* (possibly others).

 -- Nicholas Breen <nbreen@debian.org>  Wed, 16 Oct 2019 18:05:33 -0700

gromacs (2020~beta1-1) experimental; urgency=medium

  * New upstream beta release.
    - SONAME bump: libgromacs4 -> libgromacs5.
  * debian/control: Update B-D-Indep from python-sphinx (scheduled for
    removal soon) to python3-sphinx.
  * debian/rules: Add SIMD support for x32.
  * debian/patches/series: Remove disable-cpuinfotest.patch as a test
    to see if the problem is now solved on less-common architectures.
  * debian/copyright: Update.

 -- Nicholas Breen <nbreen@debian.org>  Mon, 14 Oct 2019 18:56:44 -0700

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 <nbreen@debian.org>  Wed, 02 Oct 2019 13:31:30 -0700

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 <nbreen@debian.org>  Fri, 12 Jul 2019 18:57:43 -0700

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 <nbreen@debian.org>  Tue, 09 Jul 2019 21:09:26 -0700

# Older entries have been removed from this changelog.
# To read the complete changelog use `apt changelog libnblib-gmx-dev`.
