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Use CMake 3.12+ facilities for detecting Python.
2020-04-23
M. Eric Irrgang
Use CMake 3.12+ facilities for detecting Python.
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2020-04-14
M. Eric Irrgang
Require CMake >=3.13.
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2020-04-13
Paul Bauer
The ugliest hack to fix rebase issues ever
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2020-04-09
Paul Bauer
Add clang-tidy script
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2020-04-09
M. Eric Irrgang
Allow useful CI to run in forks
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2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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2020-04-08
M. Eric Irrgang
Explicitly set UTF-8 encoding for gmxapi CLI interaction.
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2020-04-07
Pascal Merz
Require explicit MPI_COMM for gmx_bcast and gmx_barrier
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2020-04-01
M. Eric Irrgang
Avoid accidentally initializing pyenv in CI images.
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2020-03-25
M. Eric Irrgang
Mock hpccm import so infrastructure docs build easily.
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2020-03-19
M. Eric Irrgang
Remove confusing and duplicated variables assignment.
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2020-03-17
M. Eric Irrgang
Remove duplicated YAML key.
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2020-03-15
M. Eric Irrgang
Merge conf.py and conf-vars.py.
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2020-03-09
M. Eric Irrgang
Remove duplicated GitLab-CI jobs.
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2020-03-09
M. Eric Irrgang
Reformat .gitlab-ci.yml
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2020-02-27
M. Eric Irrgang
Resolve a Python linting error.
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2020-02-27
M. Eric Irrgang
Fix broken Python error check.
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2020-02-24
M. Eric Irrgang
Fix docstring bugs.
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2020-01-09
M. Eric Irrgang
Further consolidate gmxapi.testsupport.
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2020-01-09
M. Eric Irrgang
Update gmxapi Python package version and versioning...
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2020-01-07
M. Eric Irrgang
Remove stray "to do".
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2019-12-26
M. Eric Irrgang
Fix external web link.
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2019-12-26
M. Eric Irrgang
Enable Sphinx todo directive for GMX_DEVELOPER_BUILD.
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2019-12-19
M. Eric Irrgang
Add issue tracking for deprecations.
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2019-12-11
M. Eric Irrgang
gmxapi documentation readability improvements.
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2019-12-11
M. Eric Irrgang
gmxapi documentation formatting improvements.
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2019-12-10
Mark Abraham
Simplify gmxapi RPATH handling
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2019-11-08
M. Eric Irrgang
Fix bug introduced by clang-format reformat.
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2019-11-05
M. Eric Irrgang
Update googletest location in COPYING.
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2019-11-01
M. Eric Irrgang
Fix documentation typo.
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2019-08-27
M. Eric Irrgang
Remove unused forward declarations.
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2019-08-14
M. Eric Irrgang
Fix logic error in python_packaging/src/CMakeLists.txt
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2019-08-13
M. Eric Irrgang
Improve sample_restraint project integration.
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2019-08-13
M. Eric Irrgang
Don't install googletest.
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2019-04-09
M. Eric Irrgang
Introduce gmxapi operations and basic data model.
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2019-04-08
M. Eric Irrgang
Remove stale "TODO".
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2018-12-19
M. Eric Irrgang
Restrict number of OpenMP threads during testing.
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2018-11-19
Joe Jordan
fix unused variable warning from gmxapi compilation
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2018-11-16
M. Eric Irrgang
Convert unhelpful assertion to better documentation.
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2018-11-16
M. Eric Irrgang
Remove extraneous CMake config.
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2018-11-01
M. Eric Irrgang
Add missing blame for restraint module files.
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2018-10-15
M. Eric Irrgang
Release notes for restraint module and gmxapi.
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2018-10-15
M. Eric Irrgang
Ignore pyenv config file.
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2018-10-12
M. Eric Irrgang
Add gmxapi session resources.
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2018-10-12
M. Eric Irrgang
Enable restraints facilities.
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2018-10-12
M. Eric Irrgang
Initialize force vector in PotentialPointData constructor.
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2018-10-11
M. Eric Irrgang
Add gmxapi::Workflow.
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2018-09-25
M. Eric Irrgang
Allow explicit reset of simulation stop condition.
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2018-09-10
M. Eric Irrgang
Remove const from pointers in t_filenm.
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2017-08-30
M. Eric Irrgang
Declare an input parameter const
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2017-06-29
M. Eric Irrgang
Mark unmodified input parameter const
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2017-04-22
M. Eric Irrgang
ignore OS X Finder metadata
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2017-04-22
M. Eric Irrgang
sort ignored file extensions
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2017-04-22
M. Eric Irrgang
ignore g++ precompiler header output
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