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Only set GMX_PYTHON_PACKAGE=ON where needed.
2020-04-24 M. Eric IrrgangOnly set GMX_PYTHON_PACKAGE=ON where needed.
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2020-04-23 M. Eric IrrgangUse CMake 3.12+ facilities for detecting Python.
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2020-04-14 M. Eric IrrgangRequire CMake >=3.13.
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2020-04-13 Paul BauerThe ugliest hack to fix rebase issues ever
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2020-04-09 Paul BauerAdd clang-tidy script
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2020-04-09 M. Eric IrrgangAllow useful CI to run in forks
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2020-04-08 Mark AbrahamFixes for clang-tidy-9
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2020-04-08 M. Eric IrrgangExplicitly set UTF-8 encoding for gmxapi CLI interaction.
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2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier
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2020-04-01 M. Eric IrrgangAvoid accidentally initializing pyenv in CI images.
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2020-03-25 M. Eric IrrgangMock hpccm import so infrastructure docs build easily.
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2020-03-19 M. Eric IrrgangRemove confusing and duplicated variables assignment.
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2020-03-17 M. Eric IrrgangRemove duplicated YAML key.
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2020-03-15 M. Eric IrrgangMerge conf.py and conf-vars.py.
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2020-03-09 M. Eric IrrgangRemove duplicated GitLab-CI jobs.
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2020-03-09 M. Eric IrrgangReformat .gitlab-ci.yml
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2020-02-27 M. Eric IrrgangResolve a Python linting error.
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2020-02-27 M. Eric IrrgangFix broken Python error check.
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2020-02-24 M. Eric IrrgangFix docstring bugs.
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2020-01-09 M. Eric IrrgangFurther consolidate gmxapi.testsupport.
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2020-01-09 M. Eric IrrgangUpdate gmxapi Python package version and versioning...
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2020-01-07 M. Eric IrrgangRemove stray "to do".
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2019-12-26 M. Eric IrrgangFix external web link.
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2019-12-26 M. Eric IrrgangEnable Sphinx todo directive for GMX_DEVELOPER_BUILD.
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2019-12-19 M. Eric IrrgangAdd issue tracking for deprecations.
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2019-12-11 M. Eric Irrganggmxapi documentation readability improvements.
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2019-12-11 M. Eric Irrganggmxapi documentation formatting improvements.
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2019-12-10 Mark AbrahamSimplify gmxapi RPATH handling
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2019-11-08 M. Eric IrrgangFix bug introduced by clang-format reformat.
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2019-11-05 M. Eric IrrgangUpdate googletest location in COPYING.
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2019-11-01 M. Eric IrrgangFix documentation typo.
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2019-08-27 M. Eric IrrgangRemove unused forward declarations.
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2019-08-14 M. Eric IrrgangFix logic error in python_packaging/src/CMakeLists.txt
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2019-08-13 M. Eric IrrgangImprove sample_restraint project integration.
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2019-08-13 M. Eric IrrgangDon't install googletest.
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2019-04-09 M. Eric IrrgangIntroduce gmxapi operations and basic data model.
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2019-04-08 M. Eric IrrgangRemove stale "TODO".
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2018-12-19 M. Eric IrrgangRestrict number of OpenMP threads during testing.
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2018-11-19 Joe Jordanfix unused variable warning from gmxapi compilation
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2018-11-16 M. Eric IrrgangConvert unhelpful assertion to better documentation.
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2018-11-16 M. Eric IrrgangRemove extraneous CMake config.
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2018-11-01 M. Eric IrrgangAdd missing blame for restraint module files.
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2018-10-15 M. Eric IrrgangRelease notes for restraint module and gmxapi.
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2018-10-15 M. Eric IrrgangIgnore pyenv config file.
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2018-10-12 M. Eric IrrgangAdd gmxapi session resources.
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2018-10-12 M. Eric IrrgangEnable restraints facilities.
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2018-10-12 M. Eric IrrgangInitialize force vector in PotentialPointData constructor.
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2018-10-11 M. Eric IrrgangAdd gmxapi::Workflow.
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2018-09-25 M. Eric IrrgangAllow explicit reset of simulation stop condition.
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2018-09-10 M. Eric IrrgangRemove const from pointers in t_filenm.
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2017-08-30 M. Eric IrrgangDeclare an input parameter const
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2017-06-29 M. Eric IrrgangMark unmodified input parameter const
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2017-04-22 M. Eric Irrgangignore OS X Finder metadata
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2017-04-22 M. Eric Irrgangsort ignored file extensions
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2017-04-22 M. Eric Irrgangignore g++ precompiler header output
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