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Added QM input file name as command-line parameter for grompp
[alexxy/gromacs.git] / admin /
2021-06-02 Mark AbrahamRemoved GMX_CLANG_CUDA build using old versions tree | commitdiff
2021-05-31 Andrey AlekseenkoAdd nightly CI test on OneAPI + Intel GPU tree | commitdiff
2021-05-27 Paul BauerDisable CUDA clang-tidy test tree | commitdiff
2021-05-26 Paul BauerFix clang tidy version for CUDA tree | commitdiff
2021-05-24 Paul BauerAdd CUDA clang tidy build to CI tree | commitdiff
2021-05-17 Mark AbrahamRefactor gmx_reverse_top_t tree | commitdiff
2021-05-10 Paul BauerMake clang-tidy check more aggressive tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-06 Paul BauerUse more modern clang for linters and sanitizers tree | commitdiff
2021-05-05 Berk HessConvert t_oriresdata to C++ tree | commitdiff
2021-05-05 Mark AbrahamBreak up dd_init_bondeds tree | commitdiff
2021-05-04 Mark AbrahamRemove some use of charge groups from domdec tree | commitdiff
2021-05-03 Mark AbrahamTemporarily lift requirement to detect GPUs in CI tree | commitdiff
2021-04-30 Mark AbrahamTemporarily lift requirement to detect GPUs in CI tree | commitdiff
2021-04-19 Paul BauerSet matching number of ranks for OpenCL GPU tests tree | commitdiff
2021-04-10 Kevin BoydClean up leaks tree | commitdiff
2021-03-29 Kevin BoydRemove unused LSAN suppressions tree | commitdiff
2021-03-22 Kevin BoydClean up leaks in t_inputrec tree | commitdiff
2021-03-15 Paul BauerAdd subcycle counting to MPI build tree | commitdiff
2021-03-14 Kevin BoydFix leak in cpp_opts tree | commitdiff
2021-03-08 Paul BauerFix copyright check tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-03 Paul BauerCheck version names to be correct for release tree | commitdiff
2021-03-02 Andrey AlekseenkoSet up build with hipSYCL tree | commitdiff
2021-02-26 Paul BauerAdd coverage build to post merge tree | commitdiff
2021-02-22 Paul BauerRemove raw pointer to gmx_reverse_top tree | commitdiff
2021-02-18 Andrey AlekseenkoFix clang-8-cuda-10.0 container tree | commitdiff
2021-02-18 Paul BauerUpdate CMake requirement to 3.16.3 tree | commitdiff
2021-02-16 Andrey AlekseenkoAdd support for Clang-CUDA 11.x and a post-merge CI... tree | commitdiff
2021-02-16 Andrey AlekseenkoAdd container with LLVM 11, CUDA 11.2.1, hipSYCL tree | commitdiff
2021-02-13 Paul BauerFix release docs build tree | commitdiff
2021-02-12 Sebastian KehlFix leaked memory created in make_ljpme_c6grid. tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-11 Paul BauerPrepare changes to docker images for python packages tree | commitdiff
2021-02-10 Paul BauerFix llvm build in docker container tree | commitdiff
2021-02-08 Paul BauerTag images on the branch as release-2021 tree | commitdiff
2021-02-05 Joe JordanUse raw strings instead of format in docker build script tree | commitdiff
2021-02-03 Paul BauerUpdate llvm docker build tree | commitdiff
2021-02-03 Mark AbrahamRemove support for Intel classic compiler tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-28 Andrey AlekseenkoReintroduce CI job descriptions tree | commitdiff
2021-01-27 Mark AbrahamTest python 3.9.1 tree | commitdiff
2021-01-25 Andrey AlekseenkoUpdate self-documentation in admin/git-pre-commit tree | commitdiff
2021-01-11 Mark AbrahamRemove mdrun-only build configuration tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-01-07 Paul BauerWrite copyright output files as utf8 tree | commitdiff
2021-01-07 Paul BauerFix nightly webpage upload tree | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-12-17 Mark AbrahamUpdate CI image to OneAPI 2021.1.1, add ICC tests. tree | commitdiff
2020-12-04 M. Eric IrrgangAdd CI jobs for gmxapi 0.3 tree | commitdiff
2020-12-04 M. Eric IrrgangUpdate rules for release-2021. tree | commitdiff
2020-12-04 M. Eric IrrgangSeparate job script files for gmxapi package versions. tree | commitdiff
2020-11-30 Paul BauerAdd tests for newer GCC versions tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-23 Paul BauerFixes for Intel and container build fixes tree | commitdiff
2020-11-09 Paul BauerUse images from GitLab docker repository tree | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-04 Alan GrayAllow GPU update without GPU DD tree | commitdiff
2020-11-04 M. Eric IrrgangEstablish `api/` as the home for installed headers. tree | commitdiff
2020-11-03 Paul BauerAdd Clang CUDA build to CI tree | commitdiff
2020-10-27 M. Eric IrrgangUse the correct CI script for sample_restraint jobs. tree | commitdiff
2020-10-27 M. Eric IrrgangUpdate image names in job definitions. tree | commitdiff
2020-10-27 Paul BauerDon't deploy nightly webpages tree | commitdiff
2020-10-23 M. Eric IrrgangUpdate Docker image build scripts. tree | commitdiff
2020-10-23 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-10-22 M. Eric IrrgangUse updated CI pipeline rules for Python package tests. tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-20 Paul BauerUpdate CI rules for release-2021 tree | commitdiff
2020-10-08 Andrey AlekseenkoActivate SYCL build on CI tree | commitdiff
2020-10-07 Mark AbrahamUpdate to oneAPI beta09 tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-02 M. Eric IrrgangHandle gmxapi tmpi parameters better. tree | commitdiff
2020-10-01 M. Eric IrrgangUse updated images for Python CI jobs. tree | commitdiff
2020-10-01 Paul BauerFix post merge acceptance pipeline for release-2020 tree | commitdiff
2020-09-30 Paul BauerUpdate CI on 2020 branch tree | commitdiff
2020-09-30 M. Eric IrrgangSpecify OMP_NUM_THREADS for Pyhon CI scripts. tree | commitdiff
2020-09-29 Paul BauerAdd post submit rules to CI tree | commitdiff
2020-09-25 Paul BauerFix bad logic in regressiontest branch selection tree | commitdiff
2020-09-24 Paul BauerAllow deployment of nightly webpage to server tree | commitdiff
2020-09-23 Alan GrayAdd regression tests for gpucomm paths tree | commitdiff
2020-09-22 Paul BauerMake Oneapi use CCache again tree | commitdiff
2020-09-21 Paul BauerFix script building all CI containers and add gcovr tree | commitdiff
2020-09-21 Paul BauerAdd OpenSSH to docs build images tree | commitdiff
2020-09-17 Artem ZhmurovRemove the CPU hardware context from the general list... tree | commitdiff
2020-09-16 Mark AbrahamActivate AMD OpenCL build in release matrix tree | commitdiff
2020-09-10 Paul BauerMinor fix to the printout for regtest builds tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-20 Erik LindahlEnable CI testing of OpenAPI / OpenCL tree | commitdiff
2020-08-17 Mark AbrahamAllow simpler use of scripted container builds tree | commitdiff
2020-08-17 Mark AbrahamRestore use of CUDA 11.0 in CI tree | commitdiff
2020-08-17 Mark AbrahamBuild fewer unnecessary SIMD kernels in CI tree | commitdiff
2020-08-17 Mark AbrahamSupport oneAPI in gitlab CI tree | commitdiff
2020-08-17 Paul BauerReduce artifact size tree | commitdiff
2020-08-17 Mark AbrahamStopped using images in biophysics Docker repository tree | commitdiff
2020-08-17 Mark AbrahamAvoid builds with RelWithDebInfo tree | commitdiff
2020-08-12 Mark AbrahamRevert to CUDA 10 image for CI tree | commitdiff
2020-08-06 Mark AbrahamUpdate minimum tested CUDA to 11.0 tree | commitdiff
2020-08-04 Erik LindahlSimplified uniform GPU selection in CMake tree | commitdiff
2020-08-03 M. Eric IrrgangUse importlib_resources in Python 3.6 images. tree | commitdiff
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Local GROMACS mirror with custom stuff