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(parent: 8d0a136) | patch
Handle gmxapi tmpi parameters better.
authorM. Eric Irrgang <ericirrgang@gmail.com>
Wed, 30 Sep 2020 20:32:20 +0000 (23:32 +0300)
committerM. Eric Irrgang <ericirrgang@gmail.com>
Fri, 2 Oct 2020 14:20:37 +0000 (17:20 +0300)
commitfff5715e08cf6cfcada830806c792bf5495a0253
tree78262e734e1ca4d2912f00145d78c58e09c877c6tree | snapshot
parent8d0a136ca580a330683d5376185c89c643f62454commit | diff
Handle gmxapi tmpi parameters better.

Use gmxconfig.json to support some additional testing support.

Configure thread allocation for gmxapi CI jobs more carefully.

Fixes #3710
admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh diff | blob | history
admin/ci-scripts/build-and-test-sample_restraint-2021.sh diff | blob | history
python_packaging/sample_restraint/tests/test_binding.py diff | blob | history
python_packaging/src/gmxapi/simulation/mdrun.py diff | blob | history
python_packaging/src/gmxapi/testsupport.py diff | blob | history
python_packaging/src/test/test_mdrun.py diff | blob | history
python_packaging/test/pytesthelpers.py diff | blob | history
Local GROMACS mirror with custom stuff