Setup & Installation

In preparation to migrate parts of pyiron_mpie to pyiron_contrib we should implement the same setup scripts we use for pyiron.

.ci_support/environment.yml

@@ -0,0 +1,13 @@
+channels:
+  - conda-forge
+dependencies:
+  - ase =3.19
+  - coveralls
+  - coverage
+  - codacy-coverage
+  - matplotlib
+  - numpy
+  - pyiron =0.3.6
+  - scipy
+  - seaborn
+  - skimage

.ci_support/pyironconfig.py

@@ -0,0 +1,19 @@
+import os
+
+
+def main():
+    current_path = os.path.abspath(os.path.curdir)
+    top_level_path = current_path.replace('\\', '/')
+    resource_path = os.path.join(current_path, "tests", "static").replace('\\', '/')
+    pyiron_config = os.path.expanduser('~/.pyiron').replace('\\', '/')
+    if not os.path.exists(pyiron_config):
+        with open(pyiron_config, 'w') as f:
+            f.writelines(['[DEFAULT]\n',
+                          'TOP_LEVEL_DIRS = ' + top_level_path + '\n',
+                          'RESOURCE_PATHS = ' + resource_path + '\n'])
+    else:
+        print('config exists')
+
+
+if __name__ == '__main__':
+    main()

.ci_support/travis_setup_pyiron.sh

@@ -0,0 +1,11 @@
+#!/bin/bash
+# Setup Miniconda
+wget ${1} -O miniconda.sh
+bash miniconda.sh -b -p $HOME/miniconda
+conda info -a
+conda config --set always_yes yes --set changeps1 no
+
+# Setup pyiron
+conda install python=${2}
+conda env update --name root --file .ci_support/environment.yml
+pip install --pre .

.travis.yml

@@ -0,0 +1,31 @@
+matrix:
+  include:
+    - stage: test
+      name: test_linux_3_7
+      os: linux
+      language: python
+      env: MINICONDA="https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh" PYTHONVER="3.7"
+      install:
+        - export PATH="$HOME/miniconda/bin:$PATH"
+        - ./.ci_support/travis_setup_pyiron.sh ${MINICONDA} ${PYTHONVER}
+        - python .ci_support/pyironconfig.py
+      script:
+        - coverage run -m unittest discover tests
+        - coverage combine
+      after_success:
+        - coveralls
+        - coverage xml
+        - python-codacy-coverage -r coverage.xml
+      deploy:
+        - provider: pypi
+          user: pyiron
+          password: ${PYPI_UPLOAD_TOKEN}
+          allow_failure: true
+          on:
+            branch: master
+        - provider: pypi
+          user: pyiron
+          password: ${PYPI_UPLOAD_TOKEN}
+          allow_failure: true
+          on:
+            tags: true

MANIFEST.in

@@ -0,0 +1,3 @@
+include versioneer.py
+include pyiron_contrib/_version.py
+include LICENSE

pyiron_contrib/__init__.py

@@ -1,3 +1,6 @@
+__version__ = "0.1"
+__all__ = []
+
 from pyiron import Project
 from pyiron_base import JOB_CLASS_DICT
 
@@ -9,3 +12,8 @@
 JOB_CLASS_DICT['ProtocolHarmonicTILD'] = 'pyiron_contrib.protocol.compound.tild'
 JOB_CLASS_DICT['ProtocolHarmonicTILDParallel'] = 'pyiron_contrib.protocol.compound.tild'
 JOB_CLASS_DICT['ImageJob'] = 'pyiron_contrib.image.job'
+
+from ._version import get_versions
+
+__version__ = get_versions()["version"]
+del get_versions