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SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
[alexxy/gromacs.git]
/
python_packaging
/
sample_restraint
/
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...
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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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
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-28
M. Eric Irrgang
Restore gmxapi._gmxapi.add_mdmodule() Python functionality.
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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
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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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
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-11-18
M. Eric Irrgang
Replace gmxapi `erroroutput` with `stderr` and `stdout`
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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
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-02
M. Eric Irrgang
Handle gmxapi tmpi parameters better.
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commitdiff
2020-09-30
M. Eric Irrgang
Restrict gmxapi pytest tests to `-nt 2`
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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
2020-05-25
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.
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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
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
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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
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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commitdiff
2020-01-09
M. Eric Irrgang
Further consolidate gmxapi.testsupport.
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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
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commitdiff
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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commitdiff
2019-12-30
M. Eric Irrgang
Make gmxapi.testsupport usable as a pytest plugin.
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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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
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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
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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commitdiff
2019-11-27
M. Eric Irrgang
Add gmxapi_extension tests to 'tests' target.
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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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
Restore CMake convenience targets for sample_restraint.
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commitdiff
2019-10-29
M. Eric Irrgang
Disable its tests when sample_restraint is not the...
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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commitdiff
2019-10-27
M. Eric Irrgang
Fix CMake message typo.
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commitdiff
2019-10-23
M. Eric Irrgang
Suppress some output when sample_restraint is built...
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commitdiff
2019-10-13
M. Eric Irrgang
Update sample_restraint documentation entry points.
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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
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commitdiff
2019-09-11
M. Eric Irrgang
Normalize some testing resources for the Python packages.
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commitdiff
2019-09-03
M. Eric Irrgang
Python wrapping code for gmxapi mdrun bindings.
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commitdiff
2019-08-27
M. Eric Irrgang
Add sample_restraint Python tests to `check` target.
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commitdiff
2019-08-26
M. Eric Irrgang
Reduce artificial header dependencies in restraint...
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
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commitdiff
2019-08-13
M. Eric Irrgang
Improve sample_restraint project integration.
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commitdiff
2019-08-07
M. Eric Irrgang
Use gmock and gtest targets from googletest-release...
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
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commitdiff
2019-07-24
M. Eric Irrgang
Remove one of the examples from sample_restraint.
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commitdiff
2019-07-24
M. Eric Irrgang
Begin new sample_restraint development.
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commitdiff
2019-07-23
M. Eric Irrgang
Don't install sample restraint package by default.
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commitdiff
2019-07-18
M. Eric Irrgang
Improve some documentation formatting and spelling.
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commitdiff
2019-07-09
M. Eric Irrgang
Incorporate sample_restraint repository.
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commitdiff