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Remove mu_tot from compute_globals()
[alexxy/gromacs.git] / python_packaging /
2020-01-28 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-09 M. Eric IrrgangUse enum for gmxapi.testsupport fixture options. tree | commitdiff
2020-01-09 M. Eric IrrgangFurther consolidate gmxapi.testsupport. tree | commitdiff
2020-01-09 M. Eric IrrgangUpdate gmxapi Python package version and versioning... tree | commitdiff
2020-01-09 Mark AbrahamSplit lines with many copyright years tree | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 tree | commitdiff
2020-01-07 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master tree | commitdiff
2020-01-02 M. Eric IrrgangAdd Flake8 linting to gmxapi tests. tree | commitdiff
2019-12-30 M. Eric IrrgangMake gmxapi.testsupport usable as a pytest plugin. tree | commitdiff
2019-12-28 M. Eric IrrgangResolve CMake ambiguities for gmxapi Python package... tree | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 tree | commitdiff
2019-12-26 M. Eric IrrgangSet Sphinx default role. tree | commitdiff
2019-12-26 M. Eric IrrgangClean up Sphinx interpreted text in the default role. tree | commitdiff
2019-12-12 Mark AbrahamMerge "Merge branch 'origin/release-2020' into master" tree | commitdiff
2019-12-12 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2019-12-07 M. Eric IrrgangFinalize gmxapi 0.1 tree | commitdiff
2019-12-06 M. Eric Irrganggmxapi Python package usage prose. tree | commitdiff
2019-12-06 M. Eric IrrgangImprove pytest fixtures for directory management. tree | commitdiff
2019-11-30 Paul BauerMerge origin/release-2020 into master tree | commitdiff
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 tree | commitdiff
2019-11-27 M. Eric IrrgangAdd gmxapi_extension tests to 'tests' target. tree | commitdiff
2019-11-21 Mark AbrahamMerge branch release-2020 tree | commitdiff
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020 tree | commitdiff
2019-11-17 M. Eric IrrgangImprove gmxapi Dockerfiles. tree | commitdiff
2019-11-11 M. Eric IrrgangAchieve gmxapi fr15. tree | commitdiff
2019-11-11 M. Eric IrrgangUpdates to gmxapi FR15 acceptance test. tree | commitdiff
2019-11-11 M. Eric IrrgangUpdate notes and tests regarding gmxapi acceptance... tree | commitdiff
2019-11-11 M. Eric IrrgangAchieve gmxapi fr15. tree | commitdiff
2019-11-11 M. Eric IrrgangUpdates to gmxapi FR15 acceptance test. tree | commitdiff
2019-11-11 M. Eric IrrgangUpdate notes and tests regarding gmxapi acceptance... tree | commitdiff
2019-11-08 M. Eric IrrgangFix bug introduced by clang-format reformat. tree | commitdiff
2019-11-08 M. Eric IrrgangFix bug introduced by clang-format reformat. tree | commitdiff
2019-11-07 Paul BauerApply clang-format to source tree tree | commitdiff
2019-11-03 M. Eric IrrgangFix typos. tree | commitdiff
2019-11-01 M. Eric IrrgangNormalize sample_restraint target names. tree | commitdiff
2019-10-31 M. Eric IrrgangAllow validation of the generated CMake toolchain file. tree | commitdiff
2019-10-31 M. Eric IrrgangImprove uniformity of OS X CMake configuration. tree | commitdiff
2019-10-31 M. Eric IrrgangRestore CMake convenience targets for sample_restraint. tree | commitdiff
2019-10-31 M. Eric IrrgangDeduplicate gmxapi documentation. tree | commitdiff
2019-10-29 M. Eric IrrgangDisable its tests when sample_restraint is not the... tree | commitdiff
2019-10-29 M. Eric IrrgangDecrease the maximum allowed Python version for gmxapi. tree | commitdiff
2019-10-29 Paul BauerMerge branch 'release-2019' into master tree | commitdiff
2019-10-28 M. Eric IrrgangUpdate bundled pybind. tree | commitdiff
2019-10-27 M. Eric IrrgangFix CMake message typo. tree | commitdiff
2019-10-25 M. Eric IrrgangImprove gmxapi mdrun test. tree | commitdiff
2019-10-23 M. Eric IrrgangSuppress some output when sample_restraint is built... tree | commitdiff
2019-10-21 M. Eric IrrgangAdd trajectory output to mdrun operation. tree | commitdiff
2019-10-16 M. Eric IrrgangMinor tidying to mdrun.py tree | commitdiff
2019-10-16 M. Eric IrrgangMinor clean-up to gmxapi package. tree | commitdiff
2019-10-16 M. Eric IrrgangUpdate gmxapi.version module. tree | commitdiff
2019-10-15 M. Eric IrrgangFix logic error in StaticSourceManager intialization. tree | commitdiff
2019-10-15 M. Eric IrrgangAdd generic check for gmxapi support library to Python... tree | commitdiff
2019-10-14 M. Eric IrrgangFix logic error in gmxapi.version.api_is_at_least(). tree | commitdiff
2019-10-13 M. Eric IrrgangUpdate sample_restraint documentation entry points. tree | commitdiff
2019-10-13 M. Eric IrrgangTest float and int gmxapi parameter updates. tree | commitdiff
2019-10-13 M. Eric IrrgangUsability updates for gmxapi/docs Docker image. tree | commitdiff
2019-10-12 M. Eric IrrgangImprove parameter typing for gmxapi simulation paramete... tree | commitdiff
2019-10-03 M. Eric IrrgangBuild gmxapi documentation in main GROMACS documentation. tree | commitdiff
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019' tree | commitdiff
2019-09-24 Paul BauerMerge branch release-2019 into master tree | commitdiff
2019-09-15 M. Eric IrrgangImport gmxapi docs to main GROMACS docs directory. tree | commitdiff
2019-09-15 Peter KassonPatch gmxapi for Python 3.7 tree | commitdiff
2019-09-13 M. Eric IrrgangNormalize usage of GMXTOOLCHAINDIR in gmxapi setup.py tree | commitdiff
2019-09-13 M. Eric IrrgangDo not use gromacs-toolchain in darwin gmxapi builds. tree | commitdiff
2019-09-13 M. Eric IrrgangUpdate gmxapi setup.py tree | commitdiff
2019-09-11 Paul BauerAdd missing gmxapi requirements tree | commitdiff
2019-09-11 M. Eric IrrgangUse GROMACS CMake toolchain file for gmxapi Python... tree | commitdiff
2019-09-11 M. Eric IrrgangAdd gmxapi.modify_input operation. tree | commitdiff
2019-09-11 M. Eric IrrgangProvide a gmxapi.read_tpr operation. tree | commitdiff
2019-09-11 M. Eric IrrgangUpdate gmxapi.simulation.context details. tree | commitdiff
2019-09-11 M. Eric IrrgangAllow gmxapi.mdrun to properly dispatch simulation... tree | commitdiff
2019-09-11 M. Eric IrrgangUpdate gmxapi Python package infrastructure for new... tree | commitdiff
2019-09-11 M. Eric IrrgangNormalize some testing resources for the Python packages. tree | commitdiff
2019-09-10 M. Eric IrrgangMake gmxcli pytest fixture more robust. tree | commitdiff
2019-09-03 M. Eric IrrgangPython wrapping code for gmxapi mdrun bindings. tree | commitdiff
2019-08-30 M. Eric IrrgangImport base code for Python-driven simulation from... tree | commitdiff
2019-08-27 M. Eric IrrgangAdd sample_restraint Python tests to `check` target. tree | commitdiff
2019-08-26 M. Eric IrrgangRearrange exposure of gmxapicompat simulation input... tree | commitdiff
2019-08-26 M. Eric IrrgangMove gmxapicompat TPR tools to libgmxapi. tree | commitdiff
2019-08-26 M. Eric IrrgangReduce artificial header dependencies in restraint... tree | commitdiff
2019-08-22 Mark AbrahamMerge branch release-2019 tree | commitdiff
2019-08-22 M. Eric IrrgangC++ code and Python bindings for TPR parameter read... tree | commitdiff
2019-08-19 M. Eric IrrgangClean up gmxapi documentation build. tree | commitdiff
2019-08-19 M. Eric IrrgangAdd subgraph and while_loop operations. tree | commitdiff
2019-08-14 M. Eric IrrgangFix logic error in python_packaging/src/CMakeLists.txt tree | commitdiff
2019-08-14 M. Eric IrrgangMinor optimization to `pip install` in gmxapi CI build. tree | commitdiff
2019-08-13 M. Eric IrrgangImprove sample_restraint project integration. tree | commitdiff
2019-08-13 M. Eric IrrgangMap gmxapi C++ exceptions to Python exceptions. tree | commitdiff
2019-08-12 M. Eric IrrgangIntroduce Context requirement. tree | commitdiff
2019-08-12 M. Eric IrrgangSeparate out some abstract base classes. tree | commitdiff
2019-08-08 M. Eric IrrgangAdd gmxapi_pytest custom target to CMake `check` target. tree | commitdiff
2019-08-08 M. Eric IrrgangAllow gmxapi Python package tests to be run from GROMAC... tree | commitdiff
2019-08-08 M. Eric IrrgangLet base GROMACS docker image be a little more useful. tree | commitdiff
2019-08-07 M. Eric IrrgangUse gmock and gtest targets from googletest-release... tree | commitdiff
2019-08-06 M. Eric IrrgangSeparate out OperationDetailsBase. tree | commitdiff
2019-08-06 M. Eric IrrgangResolve a compiler warning for the gmxapi Python package. tree | commitdiff
2019-08-05 M. Eric IrrgangSeparate out OperationDirector. tree | commitdiff
2019-08-02 M. Eric IrrgangRearchitect gmxapi.operation tree | commitdiff
2019-08-01 Paul BauerMerge release-2019 into master tree | commitdiff
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