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Restrict gmxapi pytest tests to `-nt 2`
[alexxy/gromacs.git]
/
python_packaging
/
2020-09-30
M. Eric Irrgang
Restrict gmxapi pytest tests to `-nt 2`
tree
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commitdiff
2020-09-29
M. Eric Irrgang
Allow MPI-enabled clients to provide the library commun...
tree
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commitdiff
2020-09-10
Joe Jordan
Replace GMX_ASSERT with assert in vectypes.h
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-08-21
M. Eric Irrgang
Accept Python versions higher than 3.8.
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commitdiff
2020-08-21
M. Eric Irrgang
Remove conditional for CMake < 3.12.
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commitdiff
2020-08-03
M. Eric Irrgang
Prevent failed commandline_operation from publishing...
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commitdiff
2020-07-30
M. Eric Irrgang
Remove disabled test for superseded feature.
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commitdiff
2020-07-30
M. Eric Irrgang
Ignore a generated file.
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commitdiff
2020-06-22
M. Eric Irrgang
Use Gromacs::gmx target to hint gmxapi tests.
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commitdiff
2020-06-16
M. Eric Irrgang
Improve pytest output handling.
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commitdiff
2020-06-09
M. Eric Irrgang
Improve usage of Python logging module.
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commitdiff
2020-05-25
M. Eric Irrgang
Reduce console log output from sample_restraint tests.
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commitdiff
2020-05-14
M. Eric Irrgang
Reduce console log output from sample_restraint tests.
tree
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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commitdiff
2020-04-30
M. Eric Irrgang
Require C++17 standard and STL features.
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commitdiff
2020-04-24
M. Eric Irrgang
Update bundled pybind.
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commitdiff
2020-04-23
M. Eric Irrgang
Use CMake 3.12+ facilities for detecting Python.
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commitdiff
2020-04-08
M. Eric Irrgang
Explicitly set UTF-8 encoding for gmxapi CLI interaction.
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commitdiff
2020-04-07
M. Eric Irrgang
Prepare Python environments for GitLab CI pipeline.
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commitdiff
2020-04-03
M. Eric Irrgang
Improve gmxapi Python package dependency resolution.
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commitdiff
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
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commitdiff
2020-03-30
M. Eric Irrgang
Require Python 3.6.
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-02-25
M. Eric Irrgang
Remove cruft and resolve deprecation warnings.
tree
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commitdiff
2020-02-24
M. Eric Irrgang
Fix docstring bugs.
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commitdiff
2020-02-24
M. Eric Irrgang
Let commandline_operation accept stdin.
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commitdiff
2020-02-24
M. Eric Irrgang
Make gmxapi.version.has_feature warning more useful.
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commitdiff
2020-02-24
M. Eric Irrgang
Use subprocess.run instead of subprocess.check
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commitdiff
2020-02-24
M. Eric Irrgang
Improve gmxapi.operation error handling.
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-09
M. Eric Irrgang
Use enum for gmxapi.testsupport fixture options.
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commitdiff
2020-01-09
M. Eric Irrgang
Further consolidate gmxapi.testsupport.
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commitdiff
2020-01-09
M. Eric Irrgang
Update gmxapi Python package version and versioning...
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commitdiff
2020-01-09
Mark Abraham
Split lines with many copyright years
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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commitdiff
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
tree
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commitdiff
2020-01-02
M. Eric Irrgang
Add Flake8 linting to gmxapi tests.
tree
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commitdiff
2019-12-30
M. Eric Irrgang
Make gmxapi.testsupport usable as a pytest plugin.
tree
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commitdiff
2019-12-28
M. Eric Irrgang
Resolve CMake ambiguities for gmxapi Python package...
tree
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
tree
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commitdiff
2019-12-26
M. Eric Irrgang
Set Sphinx default role.
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commitdiff
2019-12-26
M. Eric Irrgang
Clean up Sphinx interpreted text in the default role.
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commitdiff
2019-12-12
Mark Abraham
Merge "Merge branch 'origin/release-2020' into master"
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commitdiff
2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
tree
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commitdiff
2019-12-07
M. Eric Irrgang
Finalize gmxapi 0.1
tree
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commitdiff
2019-12-06
M. Eric Irrgang
gmxapi Python package usage prose.
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commitdiff
2019-12-06
M. Eric Irrgang
Improve pytest fixtures for directory management.
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commitdiff
2019-11-30
Paul Bauer
Merge origin/release-2020 into master
tree
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
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commitdiff
2019-11-27
M. Eric Irrgang
Add gmxapi_extension tests to 'tests' target.
tree
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commitdiff
2019-11-21
Mark Abraham
Merge branch release-2020
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
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commitdiff
2019-11-17
M. Eric Irrgang
Improve gmxapi Dockerfiles.
tree
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commitdiff
2019-11-11
M. Eric Irrgang
Achieve gmxapi fr15.
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commitdiff
2019-11-11
M. Eric Irrgang
Updates to gmxapi FR15 acceptance test.
tree
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commitdiff
2019-11-11
M. Eric Irrgang
Update notes and tests regarding gmxapi acceptance...
tree
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commitdiff
2019-11-11
M. Eric Irrgang
Achieve gmxapi fr15.
tree
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commitdiff
2019-11-11
M. Eric Irrgang
Updates to gmxapi FR15 acceptance test.
tree
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commitdiff
2019-11-11
M. Eric Irrgang
Update notes and tests regarding gmxapi acceptance...
tree
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commitdiff
2019-11-08
M. Eric Irrgang
Fix bug introduced by clang-format reformat.
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commitdiff
2019-11-08
M. Eric Irrgang
Fix bug introduced by clang-format reformat.
tree
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commitdiff
2019-11-07
Paul Bauer
Apply clang-format to source tree
tree
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commitdiff
2019-11-03
M. Eric Irrgang
Fix typos.
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commitdiff
2019-11-01
M. Eric Irrgang
Normalize sample_restraint target names.
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commitdiff
2019-10-31
M. Eric Irrgang
Allow validation of the generated CMake toolchain file.
tree
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commitdiff
2019-10-31
M. Eric Irrgang
Improve uniformity of OS X CMake configuration.
tree
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commitdiff
2019-10-31
M. Eric Irrgang
Restore CMake convenience targets for sample_restraint.
tree
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commitdiff
2019-10-31
M. Eric Irrgang
Deduplicate gmxapi documentation.
tree
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commitdiff
2019-10-29
M. Eric Irrgang
Disable its tests when sample_restraint is not the...
tree
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commitdiff
2019-10-29
M. Eric Irrgang
Decrease the maximum allowed Python version for gmxapi.
tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-10-28
M. Eric Irrgang
Update bundled pybind.
tree
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commitdiff
2019-10-27
M. Eric Irrgang
Fix CMake message typo.
tree
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commitdiff
2019-10-25
M. Eric Irrgang
Improve gmxapi mdrun test.
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commitdiff
2019-10-23
M. Eric Irrgang
Suppress some output when sample_restraint is built...
tree
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commitdiff
2019-10-21
M. Eric Irrgang
Add trajectory output to mdrun operation.
tree
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commitdiff
2019-10-16
M. Eric Irrgang
Minor tidying to mdrun.py
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commitdiff
2019-10-16
M. Eric Irrgang
Minor clean-up to gmxapi package.
tree
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commitdiff
2019-10-16
M. Eric Irrgang
Update gmxapi.version module.
tree
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commitdiff
2019-10-15
M. Eric Irrgang
Fix logic error in StaticSourceManager intialization.
tree
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commitdiff
2019-10-15
M. Eric Irrgang
Add generic check for gmxapi support library to Python...
tree
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commitdiff
2019-10-14
M. Eric Irrgang
Fix logic error in gmxapi.version.api_is_at_least().
tree
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commitdiff
2019-10-13
M. Eric Irrgang
Update sample_restraint documentation entry points.
tree
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commitdiff
2019-10-13
M. Eric Irrgang
Test float and int gmxapi parameter updates.
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commitdiff
2019-10-13
M. Eric Irrgang
Usability updates for gmxapi/docs Docker image.
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commitdiff
2019-10-12
M. Eric Irrgang
Improve parameter typing for gmxapi simulation paramete...
tree
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commitdiff
2019-10-03
M. Eric Irrgang
Build gmxapi documentation in main GROMACS documentation.
tree
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
tree
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commitdiff
2019-09-15
M. Eric Irrgang
Import gmxapi docs to main GROMACS docs directory.
tree
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commitdiff
2019-09-15
Peter Kasson
Patch gmxapi for Python 3.7
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commitdiff
2019-09-13
M. Eric Irrgang
Normalize usage of GMXTOOLCHAINDIR in gmxapi setup.py
tree
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commitdiff
2019-09-13
M. Eric Irrgang
Do not use gromacs-toolchain in darwin gmxapi builds.
tree
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commitdiff
2019-09-13
M. Eric Irrgang
Update gmxapi setup.py
tree
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commitdiff
2019-09-11
Paul Bauer
Add missing gmxapi requirements
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commitdiff
2019-09-11
M. Eric Irrgang
Use GROMACS CMake toolchain file for gmxapi Python...
tree
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commitdiff
2019-09-11
M. Eric Irrgang
Add gmxapi.modify_input operation.
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commitdiff
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biod.pnpi.spb.ru / alexxy / gromacs.git / history