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2021-09-12	M. Eric Irrgang	Always call `find_package(MPI)`.	commit \| commitdiff \| tree
2021-09-12	M. Eric Irrgang	Normalize indentation.	commit \| commitdiff \| tree
2021-08-19	M. Eric Irrgang	Update Python package version to account for merge...	commit \| commitdiff \| tree
2021-08-05	M. Eric Irrgang	Add `long_description` to gmxapi package.	commit \| commitdiff \| tree
2021-01-24	M. Eric Irrgang	Finalize gmxapi Python package version 0.2.	commit \| commitdiff \| tree
2020-12-16	M. Eric Irrgang	Apply re-formatting to C++ in src/ tree.	commit \| commitdiff \| tree
2020-12-02	M. Eric Irrgang	One argument per line for long function signatures.	commit \| commitdiff \| tree
2020-11-27	M. Eric Irrgang	Import setuptools early to suppress distutils warning.	commit \| commitdiff \| tree
2020-11-16	M. Eric Irrgang	gmxapi versioning updates.	commit \| commitdiff \| tree
2020-11-13	M. Eric Irrgang	Be more explicit about build-tree-only dependencies.	commit \| commitdiff \| tree
2020-11-09	M. Eric Irrgang	Help clients find dependencies of imported CMake targets.	commit \| commitdiff \| tree
2020-10-02	M. Eric Irrgang	Handle gmxapi tmpi parameters better.	commit \| commitdiff \| tree
2020-09-30	M. Eric Irrgang	Specify OMP_NUM_THREADS for Pyhon CI scripts.	commit \| commitdiff \| tree
2020-08-27	M. Eric Irrgang	Clarify t_inputrec allocation logic in runner.cpp.	commit \| commitdiff \| tree
2020-07-30	M. Eric Irrgang	Ignore a generated file.	commit \| commitdiff \| tree
2020-07-10	M. Eric Irrgang	Fix libgromacs CMake target install syntax.	commit \| commitdiff \| tree
2020-06-19	M. Eric Irrgang	Remove workaround for gcc bug 58265.	commit \| commitdiff \| tree
2020-05-28	M. Eric Irrgang	Docker image builds: simplify doxygen version handling.	commit \| commitdiff \| tree
2020-05-28	M. Eric Irrgang	Docker image builds: move doxygen handling to a separate...	commit \| commitdiff \| tree
2020-05-26	M. Eric Irrgang	Extend MPI ensemble testing for gmxapi.	commit \| commitdiff \| tree
2020-05-26	M. Eric Irrgang	Enable MPI ensemble testing for gmxapi.	commit \| commitdiff \| tree
2020-05-25	M. Eric Irrgang	Reduce console log output from sample_restraint tests.	commit \| commitdiff \| tree
2020-05-21	M. Eric Irrgang	Normalize gmxapi related release-2020 job logic.	commit \| commitdiff \| tree
2020-04-30	M. Eric Irrgang	Update header sorting.	commit \| commitdiff \| tree
2020-04-30	M. Eric Irrgang	Require C++17 standard and STL features.	commit \| commitdiff \| tree
2020-04-29	M. Eric Irrgang	Apply more granular CTest time-out policy.	commit \| commitdiff \| tree
2020-04-24	M. Eric Irrgang	Only set GMX_PYTHON_PACKAGE=ON where needed.	commit \| commitdiff \| tree
2020-04-08	M. Eric Irrgang	Explicitly set UTF-8 encoding for gmxapi CLI interaction.	commit \| commitdiff \| tree
2020-04-01	M. Eric Irrgang	Avoid accidentally initializing pyenv in CI images.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Extract logic for when CI jobs execute.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	Remove confusing and duplicated variables assignment.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	Consolidate global mix-ins.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	[ci skip] Remove indirection for default tags parameter.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	[ci skip] Reorganize .gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-18	M. Eric Irrgang	Document CI variable and remove unused template.	commit \| commitdiff \| tree
2020-03-18	M. Eric Irrgang	Disable sphinx.ext.viewcode	commit \| commitdiff \| tree
2020-03-17	M. Eric Irrgang	Remove duplicated YAML key.	commit \| commitdiff \| tree
2020-03-15	M. Eric Irrgang	Merge conf.py and conf-vars.py.	commit \| commitdiff \| tree
2020-03-10	M. Eric Irrgang	Distinguish Docker images for different release requirements.	commit \| commitdiff \| tree
2020-03-09	Paul Bauer	Fix wrong Docker images in doc builds	commit \| commitdiff \| tree
2020-03-09	M. Eric Irrgang	Remove duplicated GitLab-CI jobs.	commit \| commitdiff \| tree
2020-03-09	M. Eric Irrgang	Reformat .gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-07	M. Eric Irrgang	Manage the list of image tags in Docker build script.	commit \| commitdiff \| tree
2020-03-07	M. Eric Irrgang	Manage the list of image tags in Docker build script.	commit \| commitdiff \| tree
2020-03-06	Paul Bauer	Fix Gitlab build issues	commit \| commitdiff \| tree
2020-02-27	M. Eric Irrgang	Resolve a Python linting error.	commit \| commitdiff \| tree
2020-02-27	M. Eric Irrgang	Fix broken Python error check.	commit \| commitdiff \| tree
2020-02-25	M. Eric Irrgang	Remove cruft and resolve deprecation warnings.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Fix docstring bugs.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Fix sphinx-build option typo.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Let commandline_operation accept stdin.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Clarify annotation about GitLab CI Docker images.	commit \| commitdiff \| tree
2020-02-21	Paul Bauer	Fix Gitlab doc build	commit \| commitdiff \| tree
2020-02-17	M. Eric Irrgang	Establish stubs for documenting GitLab configuration.	commit \| commitdiff \| tree
2020-02-15	M. Eric Irrgang	Reformat .gitlab-ci.yml	commit \| commitdiff \| tree
2020-01-15	Paul Bauer	Update nonstd::optional	commit \| commitdiff \| tree
2020-01-15	Paul Bauer	Allow access to optional outside libgromacs	commit \| commitdiff \| tree
2020-01-09	M. Eric Irrgang	Use enum for gmxapi.testsupport fixture options.	commit \| commitdiff \| tree
2020-01-09	M. Eric Irrgang	Further consolidate gmxapi.testsupport.	commit \| commitdiff \| tree
2020-01-09	M. Eric Irrgang	Update gmxapi Python package version and versioning...	commit \| commitdiff \| tree
2020-01-07	M. Eric Irrgang	Remove stray "to do".	commit \| commitdiff \| tree
2020-01-02	M. Eric Irrgang	Add Flake8 linting to gmxapi tests.	commit \| commitdiff \| tree
2020-01-02	M. Eric Irrgang	Use `todo` Sphinx directive more.	commit \| commitdiff \| tree
2019-12-30	M. Eric Irrgang	Add tracking for a documented action item.	commit \| commitdiff \| tree
2019-12-30	M. Eric Irrgang	Link some "to do"s in the dev manual.	commit \| commitdiff \| tree
2019-12-30	M. Eric Irrgang	Make gmxapi.testsupport usable as a pytest plugin.	commit \| commitdiff \| tree
2019-12-27	M. Eric Irrgang	Update intersphinx configuration.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Let GMX_DEVELOPER_BUILD trigger a "to do" list in the...	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Set Sphinx default role.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Fix external web link.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Enable Sphinx todo directive for GMX_DEVELOPER_BUILD.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Clean up Sphinx interpreted text in the default role.	commit \| commitdiff \| tree
2019-12-19	M. Eric Irrgang	Add issue tracking for deprecations.	commit \| commitdiff \| tree
2019-12-18	M. Eric Irrgang	Update reference to uncrustify and clang-format.	commit \| commitdiff \| tree
2019-12-17	M. Eric Irrgang	Be more specific with clang-format suggestions.	commit \| commitdiff \| tree
2019-12-11	M. Eric Irrgang	gmxapi documentation readability improvements.	commit \| commitdiff \| tree
2019-12-11	M. Eric Irrgang	gmxapi documentation formatting improvements.	commit \| commitdiff \| tree
2019-12-10	Mark Abraham	Simplify gmxapi RPATH handling	commit \| commitdiff \| tree
2019-11-08	M. Eric Irrgang	Fix bug introduced by clang-format reformat.	commit \| commitdiff \| tree
2019-11-05	M. Eric Irrgang	Update googletest location in COPYING.	commit \| commitdiff \| tree
2019-11-01	M. Eric Irrgang	Fix documentation typo.	commit \| commitdiff \| tree
2019-10-31	M. Eric Irrgang	Deduplicate gmxapi documentation.	commit \| commitdiff \| tree
2019-10-25	M. Eric Irrgang	Improve gmxapi mdrun test.	commit \| commitdiff \| tree
2019-10-16	M. Eric Irrgang	Minor tidying to mdrun.py	commit \| commitdiff \| tree
2019-10-16	M. Eric Irrgang	Minor clean-up to gmxapi package.	commit \| commitdiff \| tree
2019-10-16	M. Eric Irrgang	Update gmxapi.version module.	commit \| commitdiff \| tree
2019-10-15	M. Eric Irrgang	Fix logic error in StaticSourceManager intialization.	commit \| commitdiff \| tree
2019-10-15	M. Eric Irrgang	Add note about libpython requirement to gmxapi install...	commit \| commitdiff \| tree
2019-10-13	M. Eric Irrgang	Update sample_restraint documentation entry points.	commit \| commitdiff \| tree
2019-10-13	M. Eric Irrgang	Test float and int gmxapi parameter updates.	commit \| commitdiff \| tree
2019-10-13	M. Eric Irrgang	Usability updates for gmxapi/docs Docker image.	commit \| commitdiff \| tree
2019-10-12	M. Eric Irrgang	Improve parameter typing for gmxapi simulation parameter...	commit \| commitdiff \| tree
2019-10-08	M. Eric Irrgang	Update handling of CMake policy 68..	commit \| commitdiff \| tree
2019-10-07	M. Eric Irrgang	Update rpath comments in src/api/cpp	commit \| commitdiff \| tree
2019-09-11	Paul Bauer	Add missing gmxapi requirements	commit \| commitdiff \| tree
2019-09-11	M. Eric Irrgang	Allow gmxapi.mdrun to properly dispatch simulation...	commit \| commitdiff \| tree
2019-09-10	M. Eric Irrgang	Fix parameter key look-up in gmxapi TPR reader.	commit \| commitdiff \| tree
2019-09-10	M. Eric Irrgang	Make gmxcli pytest fixture more robust.	commit \| commitdiff \| tree
2019-08-27	M. Eric Irrgang	Add sample_restraint Python tests to `check` target.	commit \| commitdiff \| tree
2019-08-27	M. Eric Irrgang	Remove unused forward declarations.	commit \| commitdiff \| tree
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