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PR for new qmpy version V1.5 - last upgrade before cloud transitioning #137

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@tachyontraveler tachyontraveler commented Jan 19, 2022

Final version upgrade before cloud transitioning

  1. Github Actions
    1. Ditched Travis CI completely and moved on to GH Actions
    2. Regular qmpy tests and Docker container builds (dev and deploy) are tested
    3. Currently limiting to CI. But CD will be added once the GCP project is initialized and set up
  2. Template Dockerfiles for dev and deploy are added to a new directory dockerfiles
    1. Docker images are currently at a size of ~1.5 GB.
    2. Since the .env environment files are easily customizable, these docker containers can be used for dev and production without any (known) security risks.
  3. Pre-commit enabled
    1. Hook for Black formatting
  4. Python upgrade from v3.7 to v3.9
    1. avoided Python 3.10 only due to unconfirmed support for some of the dependent packages in v3.10
  5. Upgraded JSMOL package (most of the file changes are due to this commit). No significant changes other than copy-pasting the new JSMOL files
  6. Differentiating production and main packages based on an environment variable - instead of keeping two branches with mostly the same scripts
    1. The main differences between main and production are at the frontend - especially at the computation-related data access. This is not handled by an environment variable.
    2. WSGI data are not included in qmpy anyway.
  7. OPTIMADE v2.0 - related modifications to REST API

…d. Also better CDN usage depending upon the environment variable
… spacegroup page, custom filter USE_CDN added to check for environmental variable check
…ary dependencies from setup.py and requirements
…is deprecated, wsgi in settings when not DEBUG.
…ests are subject to change with change in OPTIMADE versions
@tachyontraveler
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Hi @hegdevinayi !
Can you think of any other features that I can add to this PR before finalizing it? Please refer to the PR description on top to see the current changes. Thanks!

@tachyontraveler tachyontraveler linked an issue Mar 28, 2022 that may be closed by this pull request
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Bug when parsing element_set
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