Merge pull request #162 from Autodesk/deploy

Continuous deployment

DEVELOPMENT.md

@@ -87,9 +87,18 @@ are considered "stable".
 
 ### Releases
 
-1. Decide on the new version number (using [semantic versioning](http://semver.org/)). For our purposes here, we'll pretend it's `0.9.3`.
+1. Decide on the new version number (see below). For our purposes here, we'll pretend it's `0.9.3`.
 1. Tag the relevant commit (the build must be passing) with a release candidate version number, e.g., `0.9.3rc1`.
-1. Codeship will automatically deploy the updated release to PyPI and DockerHub (still WIP 5/17)
+1. Codeship will automatically deploy the updated release to PyPI and DockerHub
+1. Manually test the example notebooks against this pre-release version.
+1. If succesful, tag the relevant commit with the official release version `0.9.3`
+
+### Versioning
+For now, we're using a subset [PEP 440](https://www.python.org/dev/peps/pep-0440/):
+1. Every release should be of the form MAJOR.MINOR.PATCH, e.g. `0.1.2`
+2. Pre-releases should be numbered consecutively, and may be alpha, beta, or "release candidate", e.g. `1.0.1rc3` or `0.5.3a1`
+3. Our deployment infrastructure uses this regular expression to accept version strings:
+`^(0|[1-9]\d*)\.(0|[1-9]\d*)\.(0|[1-9]\d*)((a|rc|b)(0|[1-9]\d*))?$`
 
 ### Maintainers: updating the documentation
 

DockerMakefiles/Moldesign.yml

@@ -17,7 +17,8 @@ moldesign_minimal_requirements:
    && apt-get install -y gcc \
    && pip install -r /tmp/mdtreqs.txt
   COPY . /opt/molecular-design-toolkit
-  RUN pip install -e /opt/molecular-design-toolkit
+  WORKDIR /opt/molecular-design-toolkit
+  RUN python setup.py sdist && pip install `ls -t dist/*.tar.gz | head -n1`
 
 moldesign_minimal:
   requires:

DockerMakefiles/requirements.txt

@@ -1 +1 @@
-DockerMake >= 0.5.3
+DockerMake >= 0.5.6

codeship-services.yml

@@ -9,10 +9,9 @@ docker_make:
 
 publisher:
   encrypted_env_file: deployment/tokens.crypt
-  encryped_dockercfg: deployment/docker.crypt
   build:
-    context: .
-    dockerfile: ./deployment/build-env.dockerfile
+    context: ./deployment
+    dockerfile: ./moldesign-complete-cache.dockerfile
   add_docker: true
   working_dir: /opt/molecular-design-toolkit
   volumes:

codeship-steps.yml

@@ -73,21 +73,9 @@
   service: test_moldesign_minimal_py2
   name: minimal_test_py2
 
-# TODO: test the merged versions of PRs; test additional environments sometimes
-
-#- name: code_coverage
-#  service: test_moldesign_complete
-#  command: cd /opt/molecular-design-toolkit/ && coveralls
-
 - name: publish
   service: publisher
-  # matches tags that are valid semantic versions
-  tag: '^(0|[1-9]\d*)\.(0|[1-9]\d*)\.(0|[1-9]\d*)(-(0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*)(\.(0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*))*)?(\+[0-9a-zA-Z-]+(\.[0-9a-zA-Z-]+)*)?$'
-  type: serial
-  steps:
-    - command: ./deployment/check_pkg_version.sh
-      name: verify_version
-    - command: cd DockerMakefiles && docker-make --all --tag $CI_BRANCH --repo docker.io/autodesk/moldesign
-      tag: docker_push
-    - command: python setup.py check sdist && twine upload -u ${PYPI_USER} -p ${PYPI_PASSWORD} dist/*
-      name: pypi_push
+  # matches tags that are valid PEP440 versions
+  tag: '^(0|[1-9]\d*)\.(0|[1-9]\d*)\.(0|[1-9]\d*)((a|rc|b)(0|[1-9]\d*))?$'
+  command: ./deployment/publish.sh
+

deployment/codeship_runtests.sh

@@ -1,7 +1,9 @@
 #!/usr/bin/env bash
-
 # this script expects to run from the moldesign/_tests directory
 
+# fail immediately if any command fails:
+set -e
+
 VERSION="${TESTENV}.py${PYVERSION}"
 PYTESTFLAGS="-n 6 --durations=20 --junit-xml=/opt/reports/junit.${VERSION}.xml --timeout=1800"
 if [ "${VERSION}" == "complete.py3" ]; then
@@ -15,11 +17,11 @@ function send_status_update(){
 
 
 function check_if_tests_should_run(){
-    echo "Should I run the tests in this environment?"
+   echo "Should I run the tests in this environment?"
+   runthem=false
 
    if [[ "${CI_COMMIT_MESSAGE}" == *"--fast-ci-tests"* && "${VERSION}" != "complete.py3" ]];  then
        echo "NO: found \"--fast-ci-tests\" flag in commit message; run complete.py3 only"
-       send_status_update 0 "Skipped (--fast-ci-tests flag in commit msg)"
        exit 0
    fi
 
@@ -44,7 +46,6 @@ function check_if_tests_should_run(){
      echo "SKIPPING tests in this environment."
      echo "To run these tests, add \"--testall\" to your commit message"
      echo "(or work in the dev or deploy branches)"
-     send_status_update 0 "Skipped (dev/deploy branches only)"
      exit 0
    fi
 }

deployment/moldesign-complete-cache.dockerfile

@@ -1,3 +1,6 @@
 FROM moldesign_complete:dev
 ADD requirements.txt provision_testrunner_image.sh /tmp/
 RUN cd /tmp && ./provision_testrunner_image.sh
+RUN pip install twine
+WORKDIR /opt/molecular-design-toolkit
+RUN pip install -r DockerMakefiles/requirements.txt

deployment/publish.sh

@@ -0,0 +1,25 @@
+#!/bin/bash
+
+# Publish a new release (triggered by a git tag that conforms to a PEP440 release)
+# Exit 1 if there's a mismatch between the git tag and the package's version
+# Expects to run in base directory
+
+# fail immediately if any command fails:
+set -e
+
+pyversion=$(python -m moldesign version | tail -n 1)
+
+if [ "${pyversion}" == "${CI_BRANCH}" ]; then
+  echo "Deploying version ${CI_BRANCH}"
+else
+  echo "Can't publish - moldesign package version '${pyversion}' differs from its Git tag '${CI_BRANCH}'"
+  exit 1
+fi
+
+docker-make -f DockerMakefiles/DockerMake.yml \
+            --repo docker.io/autodesk/moldesign: \
+            --tag ${pyversion} \
+            --all \
+            --push --user ${DOCKERHUB_USER} --token ${DOCKERHUB_PASSWORD}
+
+twine upload -u ${PYPI_USER} -p ${PYPI_PASSWORD} dist/moldesign-${pyversion}.tar.gz

deployment/requirements.txt

@@ -5,4 +5,3 @@ PyGithub
 pytest-cov
 pytest-xdist != 1.17.0
 pytest-timeout
-twine

deployment/tokens.crypt

@@ -1 +1 @@
-JbDr9gK2wjC1kxhF/omEUkq2sLSIML6yZ0bzhKs//sDOOrApuFkyCzLm2p2EFPnVDK8kcuJ6353Cc9+gDLO92JaOrct2Tw+Q9O9UxOj+FUKuVRTEz9pjBJMbyl+W7WhOeKEfH+3SeBBPmLXCn5YZCxr1yw9hqKX9kIKh/QLY69MWMPy2O1Xar7M2BkaYW8f7BmxA5a4OipZVYk6zaOqlAFA1Yy9CseNl3GWTe1DBIboWY08cGw==
+on37G8kkndvo2yloV66PWzQ/0bbTTKmj7SyjwcYHKbJKDi9jilWpcx8pXbtr1DLKeR0tweY7EXErHFpra0R3VUEm0qbPH3kpOFDZLiGAJKotYPhrRjthsId6yQH8lXot9PIiN128Eu1MUQmLnwk3+J8RZ3++3ILZinK2Jw3Ts8sbmn/OGIz6eGad9PTnV4/BdilF+VvOrr+l9fKvpM4XpTJDYh6SFsPr2S0mtTsU78cZUwDI3PpPP+SjpL9aVb/2zCK1jDpG7Q8Mlvun0zqlV0CcECJorX0vcbDcnKuF+krxw8fmJShCrDtf6ME/DZrK0Q==

moldesign/__main__.py

@@ -46,7 +46,7 @@
 EXAMPLE_DIR_SRC = unit_def_file = os.path.join(MOLDESIGN_SRC, '_notebooks')
 MDTVERSION = subprocess.check_output(['python', '-c',
                                       "import _version; print(_version.get_versions()['version'])"],
-                                     cwd=MOLDESIGN_SRC).strip()
+                                     cwd=MOLDESIGN_SRC).splitlines()[-1].decode('ascii')
 VERFILEPATH = os.path.join(EXAMPLE_DIR_TARGET, '.mdtversion')
 
 
@@ -64,7 +64,6 @@
 def main():
     print('Molecular Design Toolkit v%s Launcher' % MDTVERSION)
 
-
     global CONFIG_PATH
     parser = argparse.ArgumentParser('python -m moldesign')
 
@@ -79,6 +78,7 @@ def main():
     subparsers.add_parser('copyexamples', help='Copy example notebooks')
     subparsers.add_parser('devbuild', help='rebuild required docker containers locally')
     subparsers.add_parser('devpull', help='Pull development images for latest release')
+    subparsers.add_parser('version', help='Write version string and exit')
 
     parser.add_argument('-f', '--config-file', type=str,
                         help='Path to config file')
@@ -108,6 +108,9 @@ def main():
     elif args.command == 'copyexamples':
         copy_example_dir(use_existing=False)
 
+    elif args.command == 'version':
+        print(MDTVERSION)
+
     elif args.command == 'config':
         print('Reading config file from: %s' % CONFIG_PATH)
         print('----------------------------')