Public Git Hosting - gromacs.git/search

2020-06-26	M. Eric Irrgang	Use IonSwapping parameter.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use CenterOfMassPulling	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use ReplicaExchange member instead of build() argument.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use SimulatorModules parameter.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use InteractiveMD SimulatorBuilder parameter.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use LegacyInput.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use ConstraintsParam.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Move Profiling parameter out of simulatorbuilder.build()	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use SimulatorEnv	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Implement remaining SimulatorBuilder.add() methods.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Interface for remaining SimulatorBuilder.add() methods.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	SimulatorBuilder.add() for StopHandlerBuilder.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Implement SimulatorBuilder.build()	commit \| commitdiff \| tree
2020-06-22	M. Eric Irrgang	Reformat pairs.cpp	commit \| commitdiff \| tree
2020-06-22	M. Eric Irrgang	Use Gromacs::gmx target to hint gmxapi tests.	commit \| commitdiff \| tree
2020-06-19	M. Eric Irrgang	Remove workaround for gcc bug 58265.	commit \| commitdiff \| tree
2020-06-16	M. Eric Irrgang	Improve pytest output handling.	commit \| commitdiff \| tree
2020-06-09	M. Eric Irrgang	Compartmentalize job rules.	commit \| commitdiff \| tree
2020-06-09	M. Eric Irrgang	Improve usage of Python logging module.	commit \| commitdiff \| tree
2020-05-28	M. Eric Irrgang	Remove unused (and broken) image from Docker image...	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
2020-05-20	M. Eric Irrgang	Make sure images have /usr/bin/python	commit \| commitdiff \| tree
2020-05-14	M. Eric Irrgang	Update docker image build scripts for master branch.	commit \| commitdiff \| tree
2020-05-14	M. Eric Irrgang	Make sure CI script can call /bin/env python`	commit \| commitdiff \| tree
2020-05-14	M. Eric Irrgang	Minor clean up to buildall.sh	commit \| commitdiff \| tree
2020-05-14	M. Eric Irrgang	Allow llvm option already used in buildall.sh script.	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
2020-04-25	M. Eric Irrgang	Note CUDA builds in job names.	commit \| commitdiff \| tree
2020-04-24	M. Eric Irrgang	Only set GMX_PYTHON_PACKAGE=ON where needed.	commit \| commitdiff \| tree
2020-04-15	M. Eric Irrgang	Change default CMake version to 3.13.0 for CI images.	commit \| commitdiff \| tree
2020-04-14	M. Eric Irrgang	Require CMake >=3.13.	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
2020-03-25	M. Eric Irrgang	Mock hpccm import so infrastructure docs build easily.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Extract logic for when CI jobs execute.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Normalize some more job names.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Simplify archive.gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Remove redundant jobs.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Fix duplicate variables parameter.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Add required Infrastructure for Gitlab merges	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Normalize naming for gromacs build/testing jobs.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Remove some unnecessary indirection in job definitions.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Consolidate .use-clangX CI job mix-in.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Consolidate .use-gccX CI job mix-in.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Adopt CI job naming guidelines.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Normalize GitLab-CI cache parameter.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge environment support into global.gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Move .build-template.yml definitions closer to point...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge *-test-template.yml into testing-matrix.gitlab...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge .test-runner-template.yml into testing-matrix...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge .test-script-template.yml into testing-matrix...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge .regressiontest-template.yml into archive config.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Consolidate documentation templates.	commit \| commitdiff \| tree
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
2020-03-10	M. Eric Irrgang	Distinguish Docker images for different release requirements.	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
2020-03-07	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
next

The ultimate molecular dynamics simulation package

RSS Atom