diff --git a/DockerMakefiles/PySCF.yml b/DockerMakefiles/PySCF.yml index f8051e5..3cd1d3d 100644 --- a/DockerMakefiles/PySCF.yml +++ b/DockerMakefiles/PySCF.yml @@ -1,5 +1,5 @@ pyscf-build-cache: - FROM: chemdocker/pyscf-build-1.3.1:0.9.0rc5 + FROM: chemdocker/pyscf-build-1.3.1:0.9.1 pyscf_mixin: copy_from: diff --git a/codeship-steps.yml b/codeship-steps.yml index 3836f12..a6b8fa1 100644 --- a/codeship-steps.yml +++ b/codeship-steps.yml @@ -35,6 +35,7 @@ moldesign_complete moldesign_complete_py2 service: publisher - type: serial + name: make-notebook steps: - name: build-notebook service: image_builder @@ -47,7 +48,7 @@ - name: print-environments - type: serial + type: parallel services: - test_moldesign_complete - test_moldesign_complete_py2 @@ -55,6 +56,7 @@ - test_moldesign_minimal_py2 steps: - command: deployment/print-environment.sh + name: env-report - name: run-tests type: serial @@ -65,6 +67,7 @@ - test_moldesign_minimal steps: - command: deployment/run-ci-tests.sh + name: testrunner - name: publish-python service: publisher