Merge pull request #13 from dprada/main

Fixing the to update conda-envs and conda-build yaml files

devtools/broadcast_requirements.py

@@ -0,0 +1,105 @@
+import yaml
+
+def heal(arg):
+
+    output = []
+
+    for ii in arg:
+        if type(ii) is list:
+            for jj in ii:
+                if type(jj) is list:
+                    for kk in jj:
+                        if kk not in output:
+                            output.append(kk)
+                else:
+                    if jj not in output:
+                        output.append(jj)
+        else:
+            if ii not in output:
+                output.append(ii)
+
+    return output
+
+with open('requirements.yaml') as fff:
+    all_requirements = yaml.load(fff, Loader=yaml.FullLoader)
+
+# Broadcasting to conda-build
+
+## meta.yaml
+
+with open('conda-build/meta.yaml') as fff:
+    meta = yaml.load(fff, Loader=yaml.FullLoader)
+
+meta["requirements"]["build"] = heal(all_requirements["setup"]["dependencies"])
+meta["requirements"]["run"] = heal(all_requirements["production"]["dependencies"])
+
+fff = open("conda-build/meta.yaml", "w")
+yaml.dump(meta, fff, sort_keys=False)
+fff.close()
+
+with open("conda-build/meta.yaml", "r") as fff:
+    meta_lines = fff.readlines()
+
+with open("conda-build/meta.yaml", "w") as fff:
+    for line in meta_lines:
+        if line.startswith('  version:'):
+            line = '  version: \"{{ environ[\'GIT_DESCRIBE_TAG\'] }}\"\n'
+        fff.write(line)
+
+# Broadcasting to conda-envs
+
+## Production
+
+env_dict={}
+env_dict["channels"]=heal(all_requirements["production"]["channels"])
+env_dict["dependencies"]=heal(all_requirements["production"]["dependencies"])
+fff = open("conda-envs/production_env.yaml", "w")
+yaml.dump(env_dict, fff, sort_keys=False)
+fff.close()
+
+## Development
+
+env_dict={}
+env_dict["channels"]=heal(all_requirements["development"]["channels"])
+env_dict["dependencies"]=heal(all_requirements["development"]["dependencies"])
+fff = open("conda-envs/development_env.yaml", "w")
+yaml.dump(env_dict, fff, sort_keys=False)
+fff.close()
+
+## Test
+
+env_dict={}
+env_dict["channels"]=heal(all_requirements["test"]["channels"])
+env_dict["dependencies"]=heal(all_requirements["test"]["dependencies"])
+fff = open("conda-envs/test_env.yaml", "w")
+yaml.dump(env_dict, fff, sort_keys=False)
+fff.close()
+
+## Docs
+
+env_dict={}
+env_dict["channels"]=heal(all_requirements["docs"]["channels"])
+env_dict["dependencies"]=heal(all_requirements["docs"]["dependencies"])
+fff = open("conda-envs/docs_env.yaml", "w")
+yaml.dump(env_dict, fff, sort_keys=False)
+fff.close()
+
+## Setup
+
+env_dict={}
+env_dict["channels"]=heal(all_requirements["setup"]["channels"])
+env_dict["dependencies"]=heal(all_requirements["setup"]["dependencies"])
+fff = open("conda-envs/setup_env.yaml", "w")
+yaml.dump(env_dict, fff, sort_keys=False)
+fff.close()
+
+## Build
+
+env_dict={}
+env_dict["channels"]=heal(all_requirements["conda-build"]["channels"])
+env_dict["dependencies"]=heal(all_requirements["conda-build"]["dependencies"])
+fff = open("conda-envs/build_env.yaml", "w")
+yaml.dump(env_dict, fff, sort_keys=False)
+fff.close()
+
+

devtools/conda-build/README.md

@@ -13,7 +13,7 @@ conda config --set anaconda_upload no
 conda build .
 PACKAGE_OUTPUT=`conda build . --output`
 anaconda login
-anaconda upload --user uibcdf $PACKAGE_OUTPUT
+anaconda upload --user uibcdf $PACKAGE_OUTPUT --label main #label:main, dev, tests
 conda build purge
 anaconda logout
 ```

devtools/conda-build/meta.yaml

@@ -1,31 +1,24 @@
 package:
   name: pyunitwizard
   version: "{{ environ['GIT_DESCRIBE_TAG'] }}"
-
 source:
   path: ../../
-
 build:
   number: 1
-
 requirements:
   build:
-    - python
-    - setuptools
-    - numpy
-    - versioneer
-
+  - python
+  - setuptools
+  - numpy
   run:
-    - python
-    - numpy
-    - pint
-
+  - python
+  - pint
 about:
   home: https://uibcdf.org
   license: MIT License
-  summary: ""
-  description: |
-    This library provides some useful methods to work with quantities
-  dev_url: https://github.com/uibcdf/PyUnitWizard
-  doc_url: https://uibcdf.org/PyUnitWizard
+  summary: ''
+  description: 'This library provides some useful methods to work with quantities
 
+    '
+  dev_url: https://github.com/uibcdf/pyunitwizard
+  doc_url: https://uibcdf.org/pyynitwizard

devtools/conda-envs/build_env.yaml

@@ -2,5 +2,8 @@ channels:
 - conda-forge
 - default
 dependencies:
+- python
+- setuptools
+- numpy
 - anaconda-client
 - conda-build

devtools/conda-envs/development_env.yaml

@@ -4,6 +4,16 @@ channels:
 dependencies:
 - python
 - pint
+- pytest
+- pip
+- pytest-cov
+- codecov
 - openmm
 - unyt
+- sphinx
+- sphinx_rtd_theme
+- sphinxcontrib-bibtex
+- nbsphinx
+- recommonmark
+- sphinx-markdown-tables
 - jupyterlab

devtools/conda-envs/docs_env.yaml

@@ -3,13 +3,13 @@ channels:
 - default
 dependencies:
 - python
+- pint
 - sphinx
 - sphinx_rtd_theme
 - sphinxcontrib-bibtex
 - nbsphinx
 - recommonmark
 - sphinx-markdown-tables
 - jupyterlab
-- pint
 - openmm
 - unyt

devtools/conda-envs/setup_env.yaml

@@ -1,7 +1,7 @@
 channels:
+- conda-forge
 - default
 dependencies:
 - python
 - setuptools
 - numpy
-- versioneer

devtools/conda-envs/test_env.yaml

@@ -3,10 +3,10 @@ channels:
 - default
 dependencies:
 - python
+- pint
 - pytest
 - pip
 - pytest-cov
 - codecov
-- pint
 - openmm
 - unyt

devtools/requirements.yaml

@@ -1,48 +1,37 @@
-production:
-  channels:
+setup:
+  channels: &setup_channels
     - conda-forge
     - default
-  dependencies:
-    - pint
+  dependencies: &setup_dependencies
+    - python
+    - setuptools
+    - numpy
 
-development:
-  channels:
-    - conda-forge
-    - default
-  dependencies:
+production:
+  channels: &production_channels
+    - *setup_channels
+  dependencies: &production_dependencies
+    - python
     - pint
-    - openmm
-    - unyt
-    - jupyterlab
-    - pytest
-    - pip
-    - pytest-cov
-    - codecov
-    - sphinx
-    - sphinx_rtd_theme
-    - sphinxcontrib-bibtex
-    - nbsphinx
-    - recommonmark
-    - sphinx-markdown-tables
 
 test:
-  channels:
-    - conda-forge
-    - default
-  dependencies:
+  channels: &test_channels
+    - *production_channels
+  dependencies: &test_dependencies
+    - *production_dependencies
     - pytest
     - pip
     - pytest-cov
     - codecov
     - pint
     - openmm
     - unyt
- 
+
 docs:
-  channels:
-    - conda-forge
-    - default
-  dependencies:
+  channels: &docs_channels
+    - *production_channels
+  dependencies: &docs_dependencies
+    - *production_dependencies
     - sphinx
     - sphinx_rtd_theme
     - sphinxcontrib-bibtex
@@ -53,20 +42,20 @@ docs:
     - pint
     - openmm
     - unyt
- 
-setup:
+
+development:
   channels:
-    - default
+    - *production_channels
   dependencies:
-    - setuptools
-    - numpy
-    - versioneer
+    - *production_dependencies
+    - *test_dependencies
+    - *docs_dependencies
 
 conda-build:
   channels:
-    - conda-forge
-    - default
+    - *setup_channels
   dependencies:
+    - *setup_dependencies
     - anaconda-client
     - conda-build
 

docs/_templates/layout.html

@@ -0,0 +1,8 @@
+{% extends '!layout.html' %}
+{% block document %}
+{{super()}}
+    <a href="https://github.com/uibcdf/pyunitwizard">
+        <img style="position: absolute; top: 0; right: 0; border: 0;" src="https://s3.amazonaws.com/github/ribbons/forkme_right_darkblue_121621.png" alt="Fork me on GitHub">
+    </a>
+{% endblock %}
+