# 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
# 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}")
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)
Highlights
^^^^^^^^^^
-|Gromacs| 2020 was released on INSERT DATE HERE. Patch releases may
+|Gromacs| 2020 was released on January 1, 2020. 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!
* 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!
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.