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Plumbing for gmxapi 2019 Q1/Q2 project roadmap.
commitfae1965522f12a6699dbfd4acc78d4a9e67503f4
authorM. Eric Irrgang <ericirrgang@gmail.com>
Wed, 27 Feb 2019 08:08:05 +0000 (27 11:08 +0300)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 29 Mar 2019 09:39:51 +0000 (29 10:39 +0100)
tree5ba12b0171e758737096e6ca01944178c017cf8atree | snapshot (tar.gz zip)
parent12551b4a7d2b2bbd1d641c12267bc9eac380b78bcommit | diff
Plumbing for gmxapi 2019 Q1/Q2 project roadmap.

Provide infrastructure so that dependent change can focus on content
of project plan.

Ref: #2893

Change-Id: Idd72e9ede890f7fc97a680c5a5bffe97499eaaf5
24 files changed:
.dockerignore [new file with mode: 0644] blob
python_packaging/.dockerignore [new file with mode: 0644] blob
python_packaging/README.md [new file with mode: 0644] blob
python_packaging/docker/README.md [new file with mode: 0644] blob
python_packaging/docker/ci.dockerfile [new file with mode: 0644] blob
python_packaging/docker/entrypoint.sh [new file with mode: 0755] blob
python_packaging/docker/gromacs-dependencies.dockerfile [new file with mode: 0644] blob
python_packaging/docker/gromacs.dockerfile [new file with mode: 0644] blob
python_packaging/requirements-test.txt [new file with mode: 0644] blob
python_packaging/scripts/README.md [new file with mode: 0644] blob
python_packaging/scripts/integrationtest [new file with mode: 0755] blob
python_packaging/scripts/run_pytest [new file with mode: 0755] blob
python_packaging/scripts/run_pytest_mpi [new file with mode: 0755] blob
python_packaging/src/gmxapi/__init__.py [new file with mode: 0644] blob
python_packaging/src/gmxapi/exceptions.py [new file with mode: 0644] blob
python_packaging/src/gmxapi/version.py [new file with mode: 0644] blob
python_packaging/src/requirements-build.txt [new file with mode: 0644] blob
python_packaging/src/setup.py [new file with mode: 0644] blob
python_packaging/src/test/test_import.py [new file with mode: 0644] blob
python_packaging/test/README.md [new file with mode: 0644] blob
python_packaging/test/conftest.py [new file with mode: 0644] blob
python_packaging/test/pytest.ini [new file with mode: 0644] blob
python_packaging/test/pytesthelpers.py [new file with mode: 0644] blob
python_packaging/test/test_import.py [new file with mode: 0644] blob
The ultimate molecular dynamics simulation package