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Unify coordinate copy handling across GPU platforms
[alexxy/gromacs.git]
/
python_packaging
/
2021-10-27
M. Eric Irrgang
Mark gmxapi 0.3b1.
tree
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commitdiff
2021-10-26
Mark Abraham
Remove/replace many mentions of Jenkins
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commitdiff
2021-10-21
M. Eric Irrgang
Clean up some gmxapi sources and tests.
tree
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commitdiff
2021-10-19
M. Eric Irrgang
Pre-install Python dependencies in CI Docker images.
tree
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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commitdiff
2021-10-15
M. Eric Irrgang
Require pybind 2.6 from environment for gmxapi Python...
tree
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commitdiff
2021-10-11
M. Eric Irrgang
Remove broken CMake option from python_packaging Docker...
tree
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-19
M. Eric Irrgang
Update Python package version to account for merge...
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-16
M. Eric Irrgang
Updates for updated Python version requirement.
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commitdiff
2021-08-11
M. Eric Irrgang
Allow gmxapi Python package to build with all 2021...
tree
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commitdiff
2021-08-09
M. Eric Irrgang
Fix GMX_PYTHON_PACKAGE option.
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commitdiff
2021-08-09
M. Eric Irrgang
Minor clean-up to sample_restraint tests.
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commitdiff
2021-08-06
M. Eric Irrgang
Add a LICENSE file for gmxapi.
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commitdiff
2021-08-05
M. Eric Irrgang
Add `long_description` to gmxapi package.
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commitdiff
2021-06-29
M. Eric Irrgang
Fix python_packaging Dockerfiles.
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-29
M. Eric Irrgang
Allow gmxapi.commandline.cli to check GMXBIN.
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commitdiff
2021-06-28
M. Eric Irrgang
Restore gmxapi._gmxapi.add_mdmodule() Python functionality.
tree
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commitdiff
2021-06-24
M. Eric Irrgang
Let gmxapi.commandline access GROMACS installation...
tree
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commitdiff
2021-06-24
M. Eric Irrgang
Require Python 3.7 for gmxapi in GROMACS 2022
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commitdiff
2021-06-18
Alexey Shvetsov
Allow to build and install nblib and gmxapi without...
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commitdiff
2021-06-08
M. Eric Irrgang
Remove gmxapi roadmap.rst and acceptance tests.
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-02-18
Paul Bauer
Update CMake requirement to 3.16.3
tree
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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commitdiff
2021-01-24
M. Eric Irrgang
Update Dockerfiles for Python subpackages.
tree
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commitdiff
2021-01-24
M. Eric Irrgang
Finalize gmxapi Python package version 0.2.
tree
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
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commitdiff
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
tree
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commitdiff
2020-11-30
M. Eric Irrgang
Explicitly use xunit2 schema for pytest output.
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commitdiff
2020-11-29
M. Eric Irrgang
Improve accessibility of pytest documentation.
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commitdiff
2020-11-27
M. Eric Irrgang
Import setuptools early to suppress distutils warning.
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-11-23
M. Eric Irrgang
Look for the various possible names of the gromacs...
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commitdiff
2020-11-18
M. Eric Irrgang
Replace gmxapi `erroroutput` with `stderr` and `stdout`
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commitdiff
2020-11-16
M. Eric Irrgang
gmxapi versioning updates.
tree
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-04
M. Eric Irrgang
Establish `api/` as the home for installed headers.
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commitdiff
2020-10-23
Mark Abraham
Merge branch release-2021
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commitdiff
2020-10-20
M. Eric Irrgang
Update gmxapi version details.
tree
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-05
M. Eric Irrgang
Don't override user provided CMAKE_OSX_DEPLOYMENT_TARGET.
tree
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commitdiff
2020-10-02
M. Eric Irrgang
Handle gmxapi tmpi parameters better.
tree
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commitdiff
2020-10-02
M. Eric Irrgang
Let gmxapi installation record the GROMACS library...
tree
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commitdiff
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
tree
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
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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.
tree
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commitdiff
2020-07-30
M. Eric Irrgang
Ignore a generated file.
tree
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commitdiff
2020-06-22
M. Eric Irrgang
Use Gromacs::gmx target to hint gmxapi tests.
tree
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commitdiff
2020-06-16
M. Eric Irrgang
Improve pytest output handling.
tree
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commitdiff
2020-06-09
M. Eric Irrgang
Improve usage of Python logging module.
tree
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commitdiff
2020-05-25
M. Eric Irrgang
Reduce console log output from sample_restraint tests.
tree
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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
tree
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commitdiff
2020-04-30
M. Eric Irrgang
Require C++17 standard and STL features.
tree
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commitdiff
2020-04-24
M. Eric Irrgang
Update bundled pybind.
tree
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commitdiff
2020-04-23
M. Eric Irrgang
Use CMake 3.12+ facilities for detecting Python.
tree
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commitdiff
2020-04-08
M. Eric Irrgang
Explicitly set UTF-8 encoding for gmxapi CLI interaction.
tree
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commitdiff
2020-04-07
M. Eric Irrgang
Prepare Python environments for GitLab CI pipeline.
tree
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commitdiff
2020-04-03
M. Eric Irrgang
Improve gmxapi Python package dependency resolution.
tree
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commitdiff
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
tree
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commitdiff
2020-03-30
M. Eric Irrgang
Require Python 3.6.
tree
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
tree
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
tree
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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.
tree
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commitdiff
2020-02-24
M. Eric Irrgang
Let commandline_operation accept stdin.
tree
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commitdiff
2020-02-24
M. Eric Irrgang
Make gmxapi.version.has_feature warning more useful.
tree
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commitdiff
2020-02-24
M. Eric Irrgang
Use subprocess.run instead of subprocess.check
tree
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commitdiff
2020-02-24
M. Eric Irrgang
Improve gmxapi.operation error handling.
tree
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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.
tree
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commitdiff
2020-01-09
M. Eric Irrgang
Further consolidate gmxapi.testsupport.
tree
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commitdiff
2020-01-09
M. Eric Irrgang
Update gmxapi Python package version and versioning...
tree
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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.
tree
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commitdiff
2019-12-12
Mark Abraham
Merge "Merge branch 'origin/release-2020' into master"
tree
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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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