biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
[WIP] Run regression tests under ASAN
2020-06-23
Kevin Boyd
[WIP] Run regression tests under ASAN
commit
|
commitdiff
|
tree
2020-06-22
M. Eric Irrgang
Reformat pairs.cpp
commit
|
commitdiff
|
tree
2020-06-22
M. Eric Irrgang
Use Gromacs::gmx target to hint gmxapi tests.
commit
|
commitdiff
|
tree
2020-06-17
Erik Lindahl
Simplified uniform GPU selection in CMake
commit
|
commitdiff
|
tree
2020-06-15
Erik Lindahl
Replace trivalue options with plain booleans
commit
|
commitdiff
|
tree
2020-06-12
Artem Zhmurov
Replace compile_cpp_as_cuda(...) with CUDA runtime...
commit
|
commitdiff
|
tree
2020-06-09
M. Eric Irrgang
Compartmentalize job rules.
commit
|
commitdiff
|
tree
2020-06-09
Artem Zhmurov
Make SD stuff private for update.cpp
commit
|
commitdiff
|
tree
2020-06-09
Artem Zhmurov
Make SD stuff private for update.cpp
commit
|
commitdiff
|
tree
2020-06-05
Berk Hess
Remove COM from SETTLE
commit
|
commitdiff
|
tree
2020-06-05
Paul Bauer
Use moltype directly for obtaining residueAtomRanges
commit
|
commitdiff
|
tree
2020-06-04
Paul Bauer
Add ability to chose regressiontest commit and branch
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
Cool quote
commit
|
commitdiff
|
tree
2020-06-03
Erik Lindahl
Remove 'register' storage class in clFFT
commit
|
commitdiff
|
tree
2020-06-03
Gilles Gouaillardet
nonbonded-benchmark: run combrule=none when the -all...
commit
|
commitdiff
|
tree
2020-06-02
Paul Bauer
Add function to get residue start and end
commit
|
commitdiff
|
tree
2020-06-01
Mark Abraham
Fix atomics configure test
commit
|
commitdiff
|
tree
2020-05-29
Mark Abraham
Make Cygwin build work
commit
|
commitdiff
|
tree
2020-05-28
M. Eric Irrgang
Remove unused (and broken) image from Docker image...
commit
|
commitdiff
|
tree
2020-05-26
Artem Zhmurov
Remove the dependence on Constraints object on t_mdatoms
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
Fix clang-tidy warnings
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Modernize convert-tpr
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Add tests for tool help output writing
commit
|
commitdiff
|
tree
2020-05-15
Artem Zhmurov
Unify CUDA and OpenCL lookup-table creation
commit
|
commitdiff
|
tree
2020-05-14
M. Eric Irrgang
Reduce console log output from sample_restraint tests.
commit
|
commitdiff
|
tree
2020-05-14
Berk Hess
Extract postProcessForceWithShiftForces()
commit
|
commitdiff
|
tree
2020-05-14
Paul Bauer
Avoid CI errors from overloading resources
commit
|
commitdiff
|
tree
2020-05-12
Berk Hess
Extract helper force buffers to a separate class
commit
|
commitdiff
|
tree
2020-05-12
Berk Hess
Refactor virtual site interface
commit
|
commitdiff
|
tree
2020-05-12
Paul Bauer
Fix archive build
commit
|
commitdiff
|
tree
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
commit
|
commitdiff
|
tree
2020-05-05
Paul Bauer
Fix copyright
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
Use test conversion script from source
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
Fix incorrect header and linter scripts
commit
|
commitdiff
|
tree
2020-05-04
Pascal Merz
Catch errors in v-rescale and Parrinello-Rahman checkpointing
commit
|
commitdiff
|
tree
2020-05-01
Paul Bauer
Prepare for 2020.3
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
GROMACS version 2020.2
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Print base commit for source linters
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Fix incorrect header and linter scripts
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Remove bundled FindCUDA.cmake
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Disallow combination of gcc > 9 and IBM_VSX
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fix compiler flag reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Update cmake version for docs container
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Print base commit for source linters
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Use test conversion script from source
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Baseline commit
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Build python package for documentation builds
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix warning for return type
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix bug in source verification on Windows
commit
|
commitdiff
|
tree
2020-04-25
Paul Bauer
Use branch point also for format and copyright check
commit
|
commitdiff
|
tree
2020-04-25
M. Eric Irrgang
Note CUDA builds in job names.
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
Make clang-tidy script more robust
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
Fix parallel testing
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Fix warnings for no-mpi build
commit
|
commitdiff
|
tree
2020-04-22
Paul Bauer
Copy of CI from master to 2020
commit
|
commitdiff
|
tree
2020-04-17
Christian Blau
proposed fix for redmine bug #3403
commit
|
commitdiff
|
tree
2020-04-17
Paul Bauer
Fix check source not parsing errors and warnings correctly
commit
|
commitdiff
|
tree
2020-04-16
Mark Abraham
Introduce GMX_USE_SIMD_KERNELS cmake option
commit
|
commitdiff
|
tree
2020-04-16
Paul Bauer
Use GPU resources for build types again
commit
|
commitdiff
|
tree
2020-04-15
M. Eric Irrgang
Change default CMake version to 3.13.0 for CI images.
commit
|
commitdiff
|
tree
2020-04-14
Mark Abraham
Fix more clang warnings
commit
|
commitdiff
|
tree
2020-04-14
M. Eric Irrgang
Fix invalid gitlab-ci.yml
commit
|
commitdiff
|
tree
2020-04-13
Paul Bauer
Fix clang-tidy script and code issue
commit
|
commitdiff
|
tree
2020-04-12
Szilárd Páll
Fix clang 10 -Wimplicit-int-float-conversion warnings
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Finish removing ENCAD shifts and table generation
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Update to clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-10
Christoph Junghans
cmake: fix exported target
commit
|
commitdiff
|
tree
2020-04-06
Paul Bauer
Add AMD image build, v2
commit
|
commitdiff
|
tree
2020-04-02
M. Eric Irrgang
Modernize some Python subprocess calls.
commit
|
commitdiff
|
tree
2020-03-31
M. Eric Irrgang
Update scripts for all of the requested pre-commit...
commit
|
commitdiff
|
tree
2020-03-27
M. Eric Irrgang
Compartmentalize hpccm build stages.
commit
|
commitdiff
|
tree
2020-03-27
M. Eric Irrgang
Be friendlier w.r.t. linkchecker.
commit
|
commitdiff
|
tree
2020-03-23
Paul Bauer
Fix release builds on Gitlab with regressiontests
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Normalize some more job names.
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Simplify archive.gitlab-ci.yml
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Remove redundant jobs.
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Fix duplicate variables parameter.
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Add required Infrastructure for Gitlab merges
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Normalize naming for gromacs build/testing jobs.
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Remove some unnecessary indirection in job definitions.
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Consolidate .use-clangX CI job mix-in.
commit
|
commitdiff
|
tree
2020-03-23
M. Eric Irrgang
Consolidate .use-gccX CI job mix-in.
commit
|
commitdiff
|
tree
2020-03-22
Paul Bauer
Fix release builds on Gitlab with regressiontests
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Adopt CI job naming guidelines.
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Normalize GitLab-CI *cache* parameter.
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Merge environment support into global.gitlab-ci.yml
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Move .build-template.yml definitions closer to point...
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Merge *-test-template.yml into testing-matrix.gitlab...
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Merge .test-runner-template.yml into testing-matrix...
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Merge .test-script-template.yml into testing-matrix...
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Merge .regressiontest-template.yml into archive config.
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Consolidate documentation templates.
commit
|
commitdiff
|
tree
2020-03-22
M. Eric Irrgang
Reorganize release templates.
commit
|
commitdiff
|
tree
2020-03-22
Paul Bauer
Add Documentation build to script
commit
|
commitdiff
|
tree
2020-03-20
Paul Bauer
Add script to generate CI Docker files
commit
|
commitdiff
|
tree
2020-03-19
Paul Bauer
Add required Infrastructure for Gitlab merges
commit
|
commitdiff
|
tree
2020-03-18
Paul Bauer
Fix image mixup for GItlab doc builds
commit
|
commitdiff
|
tree
2020-03-16
M. Eric Irrgang
Add document for containerization infrastructure.
commit
|
commitdiff
|
tree
2020-03-16
M. Eric Irrgang
Alphabetize list for readability.
commit
|
commitdiff
|
tree
2020-03-16
M. Eric Irrgang
Reformat arguments for readability.
commit
|
commitdiff
|
tree
next