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Fixes for Intel and container build fixes
2020-11-23
Paul Bauer
Fixes for Intel and container build fixes
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2020-11-11
Paul Bauer
Fix gmx do_dssp CHARMM support
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2020-11-11
Paul Bauer
Fix segmentation fault in gmx pairdist
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2020-10-13
Paul Bauer
Fix missing copyright and release notes
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2020-10-07
Paul Bauer
Fix excessive hackblock warning output
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2020-10-06
Paul Bauer
Prepare for GROMACS 2020.5
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2020-10-06
Paul Bauer
GROMACS version 2020.4
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2020-10-05
Paul Bauer
Fix debug message location
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2020-10-02
Paul Bauer
Work-around for RDRAND returning -1 on Ryzen
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2020-10-01
Paul Bauer
Fix post merge acceptance pipeline for release-2020
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2020-09-30
Paul Bauer
Update CI on 2020 branch
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2020-09-28
Paul Bauer
Change download for regressiontest away from gerrit
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2020-09-16
Paul Bauer
Break off some tests from mdrun tests
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2020-09-15
Paul Bauer
Fix missing include for MSVC build
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2020-07-27
Paul Bauer
Revert "Change builds that use failing docker containers"
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2020-07-09
Paul Bauer
Prepare for GROMACS 2020.4
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2020-07-09
Paul Bauer
GROMACS version 2020.3
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2020-07-01
Paul Bauer
Change builds that use failing docker containers
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2020-06-26
Paul Bauer
Make DSSP default path configurable
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2020-06-12
Paul Bauer
Fix false initialization values in gmx hbond
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2020-06-11
Paul Bauer
Fix false initialization values in gmx hbond
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2020-06-10
Paul Bauer
Proper fix for gmx do_dssp
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2020-06-05
Paul Bauer
Fix segmentation fault when reading energy terms
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2020-05-29
Paul Bauer
Correct regular expression for clang-tidy.sh
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2020-05-22
Paul Bauer
Avoid parsing of fatalerror.cpp as lint failure
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2020-05-05
Paul Bauer
Fix copyright
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2020-05-04
Paul Bauer
Fix cmake error: Mixed styles of target_link_libraries...
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2020-05-01
Paul Bauer
Prepare for 2020.3
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2020-04-30
Paul Bauer
GROMACS version 2020.2
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2020-04-30
Paul Bauer
Print base commit for source linters
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2020-04-30
Paul Bauer
Fix incorrect header and linter scripts
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2020-04-30
Paul Bauer
Disallow combination of gcc > 9 and IBM_VSX
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2020-04-29
Paul Bauer
Use test conversion script from source
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2020-04-27
Paul Bauer
Fix segmentation fault in do_dssp
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2020-04-27
Paul Bauer
Build python package for documentation builds
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2020-04-27
Paul Bauer
Fix warning for return type
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2020-04-27
Paul Bauer
Fix bug in source verification on Windows
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2020-04-25
Paul Bauer
Fix copyright header
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2020-04-25
Paul Bauer
Use branch point also for format and copyright check
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2020-04-24
Paul Bauer
Fix parallel testing
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2020-04-22
Paul Bauer
Copy of CI from master to 2020
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2020-03-22
Paul Bauer
Fix release builds on Gitlab with regressiontests
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2020-03-22
Paul Bauer
Add Documentation build to script
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2020-03-20
Paul Bauer
Add script to generate CI Docker files
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2020-03-19
Paul Bauer
Add required Infrastructure for Gitlab merges
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2020-03-18
Paul Bauer
Fix image mixup for GItlab doc builds
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2020-03-07
Paul Bauer
Add clang-tidy script
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2020-03-03
Paul Bauer
Prepare for 2020.2
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2020-03-03
Paul Bauer
Version 2020.1
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2020-03-03
Paul Bauer
Always hash files when building from release tarball
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2020-03-02
Paul Bauer
Add Cuda build to gitlab CI
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2020-03-02
Paul Bauer
Revert "Remove frozen atoms from VCM groups"
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2020-03-02
Paul Bauer
Remove frozen atoms from VCM groups
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-28
Paul Bauer
Define all CPU NB kernels
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2020-02-28
Paul Bauer
Version 2019.6
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2020-02-25
Paul Bauer
Avoid integer overflow in dispersion correction
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2020-02-25
Paul Bauer
Revert "Expose vsite counting"
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2020-02-24
Paul Bauer
Fix clang-6 image template
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2020-01-29
Paul Bauer
Workaround for Gitlab archive size
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2020-01-24
Paul Bauer
Use utf-8 for python file reading
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2020-01-21
Paul Bauer
Fix documentation error with doxygen >1.8.16
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2020-01-17
Paul Bauer
Actually fix Gitlab doc build
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2020-01-17
Paul Bauer
Fix bad link in developer docs
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2020-01-16
Paul Bauer
Fix nightly build failure on Gitlab
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2020-01-13
Paul Bauer
Revert "Exclude build-system files from CPack"
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2020-01-01
Paul Bauer
Prepare for 2020.1
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2020-01-01
Paul Bauer
GROMACS 2020 release
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2020-01-01
Paul Bauer
Revert "GROMACS 2020 release"
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2020-01-01
Paul Bauer
GROMACS 2020 release
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2019-12-30
Paul Bauer
Fix build error with wrong name from cached cmake file
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2019-12-28
Paul Bauer
Change releng to give information about Gitlab
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2019-12-28
Paul Bauer
Extend information for GPU update
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2019-12-28
Paul Bauer
Exclude build-system files from CPack
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2019-12-28
Paul Bauer
Remove membed from features
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2019-12-28
Paul Bauer
Deprecate support for Armv7
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2019-12-27
Paul Bauer
Add copyright check and improve cache usage
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-23
Paul Bauer
Add files for Gitlab CI
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2019-12-23
Paul Bauer
Prepare for GROMACS 2019.6
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2019-12-23
Paul Bauer
GROMACS version 2019.5
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2019-12-23
Paul Bauer
Revert "Fix that tests intended for multiple ranks...
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2019-12-20
Paul Bauer
Fix wrong header in release notes
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2019-12-20
Paul Bauer
GROMACS 2020 release candidate
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2019-12-19
Paul Bauer
Fix regressiontests failing with ctest
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2019-12-18
Paul Bauer
Add ability to set OMP and tMPI thread for ctest
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2019-12-18
Paul Bauer
Ignore build host for CI builds
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2019-12-17
Paul Bauer
Test parallel mpi only with openmp
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2019-12-17
Paul Bauer
Set correct dependency for doc build on gmxapi
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2019-12-17
Paul Bauer
Fix compiler warning about extra ;
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2019-12-17
Paul Bauer
Fix formatting error
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2019-12-16
Paul Bauer
Fix torsion angle calculation
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2019-12-13
Paul Bauer
Check for using correct hwloc headers and runtime
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2019-12-03
Paul Bauer
Third beta release of GROMACS 2020
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2019-12-03
Paul Bauer
Revert "Enable GPU update with DD when GPU comm features...
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2019-12-03
Paul Bauer
Fix nightly build by correctly defining several
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2019-12-02
Paul Bauer
Set update to run on GPU by default if possible
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2019-12-01
Paul Bauer
Use DOI for citing in reference manual section
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2019-11-29
Paul Bauer
Fix unaligned access with AVX512
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2019-11-29
Paul Bauer
Fix build error without thread or regular mpi
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