diff --git a/codeship-steps.yml b/codeship-steps.yml index 507ae14..3836f12 100644 --- a/codeship-steps.yml +++ b/codeship-steps.yml @@ -16,7 +16,7 @@ command: deployment/pull-chemdocker.sh - name: build_py3 command: - docker-make moldesign_minimal moldesign_complete moldesign_notebook + docker-make moldesign_minimal moldesign_complete -f DockerMakefiles/DockerMake.yml --tag dev --keep-build-tags --cache-repo moldesign --cache-tag cache @@ -28,8 +28,23 @@ --cache-repo moldesign --cache-tag cache - name: push-images - service: publisher - command: deployment/push.sh + type: parallel + steps: + - name: push-artifacts + command: deployment/push.sh moldesign_minimal moldesign_py2 + moldesign_complete moldesign_complete_py2 + service: publisher + - type: serial + steps: + - name: build-notebook + service: image_builder + command: docker-make moldesign_notebook + -f DockerMakefiles/DockerMake.yml + --tag dev --cache-repo moldesign --cache-tag cache + - name: push-notebook + service: publisher + command: deployment/push.sh moldesign_notebook + - name: print-environments type: serial diff --git a/deployment/pull-cache.sh b/deployment/pull-cache.sh index d985e3e..737a51c 100755 --- a/deployment/pull-cache.sh +++ b/deployment/pull-cache.sh @@ -35,7 +35,7 @@ for img in moldesign_minimal \ moldesign_complete \ moldesign_complete_py2 \ moldesign_notebook; do - run-pull ${img} ${CI_BRANCH} || run-pull ${img} master || \ + run-pull ${img} ${CI_BRANCH}-devbuild || run-pull ${img} master || \ echo " --> Failed to pull cache for ${img}" echo done diff --git a/deployment/push.sh b/deployment/push.sh index f36fa6b..53a54e4 100755 --- a/deployment/push.sh +++ b/deployment/push.sh @@ -15,11 +15,9 @@ function echocmd() { $@ } -imgs=$(cat DockerMakefiles/DockerMake.yml | shyaml get-values _ALL_) - docker login -u ${DOCKERHUB_USER} -p ${DOCKERHUB_PASSWORD} -for img in ${imgs}; do +for img in $@; do remote_img=autodesk/moldesign:${img}-${CI_BRANCH}-devbuild echocmd docker tag ${img}:dev ${remote_img} diff --git a/moldesign/_tests/test_trajectory.py b/moldesign/_tests/test_trajectory.py index b73d079..bfb756e 100644 --- a/moldesign/_tests/test_trajectory.py +++ b/moldesign/_tests/test_trajectory.py @@ -127,8 +127,8 @@ def test_add_traj(precanned_trajectory): @pytest.fixture(scope='module') -def h2_wfn_traj(h2): - mol = h2.copy() +def h2_wfn_traj(): + mol = h2().copy() mol.set_energy_model(mdt.models.RHF, basis='sto-3g') traj = mdt.Trajectory(mol)