BioD PNPI Git Repos - alexxy/gromacs.git/search

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2020-03-22	M. Eric Irrgang	Reorganize release templates.	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
2020-03-18	M. Eric Irrgang	Add stub Variables documentation to GitLab CI doc.	commit \| commitdiff \| tree
2020-03-17	M. Eric Irrgang	Remove duplicated YAML key.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Add document for containerization infrastructure.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Alphabetize list for readability.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Reformat arguments for readability.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Define an argparse parent parser for container image...	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Build MPI in Dockerfile.	commit \| commitdiff \| tree
2020-03-15	M. Eric Irrgang	Merge conf.py and conf-vars.py.	commit \| commitdiff \| tree
2020-03-09	M. Eric Irrgang	Free up Docker image tag namespace.	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
2020-03-09	M. Eric Irrgang	Consolidate logic for whether to use ModularSimulator.	commit \| commitdiff \| tree
2020-03-07	M. Eric Irrgang	Manage the list of image tags in Docker build script.	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	Make gmxapi.version.has_feature warning more useful.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Use subprocess.run instead of subprocess.check	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Improve gmxapi.operation error handling.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Clarify annotation about GitLab CI Docker images.	commit \| commitdiff \| tree
2020-02-21	M. Eric Irrgang	Simplify GitLab CI Dockerfiles.	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
2020-01-09	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
2020-01-03	M. Eric Irrgang	Remove transitional links for online gmxapi Python...	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
2019-12-28	M. Eric Irrgang	Resolve CMake ambiguities for gmxapi Python package...	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 landing page update.	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
2019-12-07	M. Eric Irrgang	Finalize gmxapi 0.1	commit \| commitdiff \| tree
2019-12-06	M. Eric Irrgang	Add notes on MPI with gmxapi Python package.	commit \| commitdiff \| tree
2019-12-06	M. Eric Irrgang	gmxapi Python package usage prose.	commit \| commitdiff \| tree
2019-12-06	M. Eric Irrgang	Improve pytest fixtures for directory management.	commit \| commitdiff \| tree
2019-11-27	M. Eric Irrgang	Add gmxapi_extension tests to 'tests' target.	commit \| commitdiff \| tree
2019-11-20	M. Eric Irrgang	Remove stub content from gmxapi docs.	commit \| commitdiff \| tree
2019-11-17	M. Eric Irrgang	Remove extraneous file.	commit \| commitdiff \| tree
2019-11-17	M. Eric Irrgang	Add transitional links for online gmxapi Python package...	commit \| commitdiff \| tree
2019-11-17	M. Eric Irrgang	Improve gmxapi Dockerfiles.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Achieve gmxapi fr15.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Updates to gmxapi FR15 acceptance test.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Update notes and tests regarding gmxapi acceptance...	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Achieve gmxapi fr15.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Updates to gmxapi FR15 acceptance test.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Update notes and tests regarding gmxapi acceptance...	commit \| commitdiff \| tree
2019-11-08	M. Eric Irrgang	Fix bug introduced by clang-format reformat.	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
2019-11-04	M. Eric Irrgang	Update gmxapi Python documentation instructions.	commit \| commitdiff \| tree
2019-11-03	M. Eric Irrgang	Update Sphinx link.	commit \| commitdiff \| tree
2019-11-03	M. Eric Irrgang	Fix typos.	commit \| commitdiff \| tree
2019-11-01	M. Eric Irrgang	Fix documentation typo.	commit \| commitdiff \| tree
2019-11-01	M. Eric Irrgang	Normalize sample_restraint target names.	commit \| commitdiff \| tree
2019-10-31	M. Eric Irrgang	Allow validation of the generated CMake toolchain file.	commit \| commitdiff \| tree
2019-10-31	M. Eric Irrgang	Improve uniformity of OS X CMake configuration.	commit \| commitdiff \| tree
2019-10-31	M. Eric Irrgang	Restore CMake convenience targets for sample_restraint.	commit \| commitdiff \| tree
2019-10-31	M. Eric Irrgang	Deduplicate gmxapi documentation.	commit \| commitdiff \| tree
2019-10-29	M. Eric Irrgang	Disable its tests when sample_restraint is not the...	commit \| commitdiff \| tree
2019-10-29	M. Eric Irrgang	Decrease the maximum allowed Python version for gmxapi.	commit \| commitdiff \| tree
2019-10-28	M. Eric Irrgang	Update bundled pybind.	commit \| commitdiff \| tree
2019-10-27	M. Eric Irrgang	Fix CMake message typo.	commit \| commitdiff \| tree
2019-10-25	M. Eric Irrgang	Improve gmxapi mdrun test.	commit \| commitdiff \| tree
2019-10-23	M. Eric Irrgang	Suppress some output when sample_restraint is built...	commit \| commitdiff \| tree
2019-10-21	M. Eric Irrgang	Add trajectory output to mdrun operation.	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
2019-10-15	M. Eric Irrgang	Add generic check for gmxapi support library to Python...	commit \| commitdiff \| tree
2019-10-14	M. Eric Irrgang	Fix logic error in gmxapi.version.api_is_at_least().	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
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