From 78c3280ad9c1802db4f6a7e02978207921add05f Mon Sep 17 00:00:00 2001 From: Paul Bauer Date: Fri, 27 Dec 2019 14:01:33 +0100 Subject: [PATCH] GROMACS 2020 release Updated regressiontest hash Set doi strings Change-Id: Id053624d5e276aea62a5d07ebf995cf01b54f1ab --- cmake/gmxVersionInfo.cmake | 10 +++++----- docs/release-notes/2020/major/highlights.rst | 4 +++- docs/release-notes/index.rst | 2 +- 3 files changed, 9 insertions(+), 7 deletions(-) diff --git a/cmake/gmxVersionInfo.cmake b/cmake/gmxVersionInfo.cmake index 6c7925b0e8..ffa1438fe9 100644 --- a/cmake/gmxVersionInfo.cmake +++ b/cmake/gmxVersionInfo.cmake @@ -1,7 +1,7 @@ # # This file is part of the GROMACS molecular simulation package. # -# Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by +# Copyright (c) 2014,2015,2016,2017,2018,2019,2020, by the GROMACS development team, led by # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, # and including many others, as listed in the AUTHORS file in the # top-level source directory and at http://www.gromacs.org. @@ -201,7 +201,7 @@ set(GMX_VERSION_PATCH 0) # candidates, where it signifies the most recent such release from # this branch; it will be empty before the first such release, as well # as after the final release is out. -set(GMX_VERSION_SUFFIX "-rc1") +set(GMX_VERSION_SUFFIX "") # Conventionally with libtool, any ABI change must change the major # version number, the minor version number should change if it's just @@ -260,7 +260,7 @@ set(REGRESSIONTEST_BRANCH "refs/heads/release-2020") # build the regressiontests tarball with all the right naming. The # naming affects the md5sum that has to go here, and if it isn't right # release workflow will report a failure. -set(REGRESSIONTEST_MD5SUM "42e3bfe74a8e8bf8e38919e10aaf8fa1" CACHE INTERNAL "MD5 sum of the regressiontests tarball for this GROMACS version") +set(REGRESSIONTEST_MD5SUM "2fe8e35878bc9ee3cf60e92d5b250175" CACHE INTERNAL "MD5 sum of the regressiontests tarball for this GROMACS version") math(EXPR GMX_VERSION_NUMERIC "${GMX_VERSION_MAJOR}*10000 + ${GMX_VERSION_PATCH}") @@ -283,8 +283,8 @@ if (GMX_VERSION_STRING_OF_FORK) set(GMX_MANUAL_DOI_INTERNAL "") set(GMX_SOURCE_DOI_INTERNAL "") else() - set(GMX_MANUAL_DOI_INTERNAL "") # Set correct doi string here - set(GMX_SOURCE_DOI_INTERNAL "") # Set correct doi string here + set(GMX_MANUAL_DOI_INTERNAL "10.5281/zenodo.3562512") # Set correct doi string here + set(GMX_SOURCE_DOI_INTERNAL "10.5281/zenodo.3562495") # Set correct doi string here endif() set(GMX_MANUAL_DOI ${GMX_MANUAL_DOI_INTERNAL} CACHE INTERNAL "reserved doi for GROMACS manual" FORCE) set(GMX_SOURCE_DOI ${GMX_SOURCE_DOI_INTERNAL} CACHE INTERNAL "reserved doi for GROMACS source code" FORCE) diff --git a/docs/release-notes/2020/major/highlights.rst b/docs/release-notes/2020/major/highlights.rst index 2cb6fd097f..a5883bbe2d 100644 --- a/docs/release-notes/2020/major/highlights.rst +++ b/docs/release-notes/2020/major/highlights.rst @@ -1,7 +1,7 @@ Highlights ^^^^^^^^^^ -|Gromacs| 2020 was released on INSERT DATE HERE. Patch releases may +|Gromacs| 2020 was released on December 31, 2019. Patch releases may have been made since then, please use the updated versions! Here are some highlights of what you can expect, along with more detail in the links below! @@ -19,6 +19,8 @@ simulations and hardware. The new features are: * New modular simulator that can be built from individual objects describing different calculations happening at each simulation step. * Parrinello-Rahman pressure coupling is now also available for the md-vv integrator. +* Running almost the entire simulation step on a single CUDA compatible GPU for supported + types of simulations, including coordinate update and constraint calculation. .. Note to developers! diff --git a/docs/release-notes/index.rst b/docs/release-notes/index.rst index 16cb7ea8ac..ca3de097b9 100644 --- a/docs/release-notes/index.rst +++ b/docs/release-notes/index.rst @@ -12,7 +12,7 @@ Two versions of |Gromacs| are under active maintenance, the 2020 series and the 2019 series. In the latter, only highly conservative fixes will be made, and only to address issues that affect scientific correctness. Naturally, some of those releases will be made after the -year 2019 ends, but we keep 2018 in the name so users understand how +year 2019 ends, but we keep 2019 in the name so users understand how up to date their version is. Such fixes will also be incorporated into the 2020 release series, as appropriate. Around the time the 2021 release is made, the 2019 series will no longer be maintained. -- 2.22.0