[ON-HOLD] Staging of v1.0.1 release #351

ml-evs · 2021-02-26T13:28:39Z

This PR backports recent changes from develop ready for the patch release of v1.0.1. It includes all commits to develop since v1.0.0, except the addition of the issue_tracker field in #339, plus a commit that adjusts the version number in the specification document (a corresponding commit will need to be made in develop to update the version to v1.0.1~develop or v1.1.0~develop.

This should not be merged/released until all other open PRs that match the v1.0.1 milestone have been merged: https://github.com/Materials-Consortia/OPTIMADE/milestone/5

This is also adds GitHub actions The rest for now are still on Travis and can be moved at a later stage; in any case they require a different environment (java vs. python)

because they were intended to have trailing spaces to check the syntax :-) Excluding these two files explicitly now from the pre-commit

Marking 'develop' for the future work.

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

…-space Adding pre-commit tests (for trailing whitespaces)

…in-URL Remove a space in an example URL

* Updated schemas to the latest generated by optimade-python-tools v0.12.0 Co-authored-by: Casper Welzel Andersen <casper.andersen@epfl.ch>

* Added Java tests to GH actions * Renamed GH actions file

* Added swagger validation using curl/jq and validator.swagger.io * Restructured CI into multiple jobs * Bump pre-commit version as suggested previously * Disabled Travis

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Add field for implementation issue tracker

Fix incorrect example in assemblies

* Added Zenodo citation * Update README.md * Use HTTPS and link to unversioned DOI

) * Sorted allowed word list for cleaner diff * Added new audit tooling for spellchecking * Fixed spelling mistakes in specification and updated .words.lst with 'make fix_spellings'

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Redefine species.mass as a list of floats

…330) * Updated schema to optimade-python-tools v0.12.9

* Update OpenAPI schemas for v0.13.0 of python-tools * Bumped OPTIMADE spec version (1.0.1) and optimade-python-tools version (0.13.1) * Use version number 1.0.1~develop * Added regexp for prefix from v0.13.2 of python-tools * Use 1.0.0~develop as the version tag

The related OPTIMADE Python tools PR: Materials-Consortia/optimade-python-tools#731. The changes are related to enumerations (Python Enum sub-classes), extending information about them and defining the default value for the aggregate field attribute for a links resource.

Replace filter/property example 'bandgap' with 'band_gap' for clarity

@rartino

…ments_ratios' (#349) * Declaring relations between 'elements', 'nelements' and 'elements_ratios'. * Update optimade.rst Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com> * elements_ratios: replacing "correlated" with more intuitive formulation. * Describing the relation between `elements` and `elements_ratios`. * Update optimade.rst Co-authored-by: Rickard Armiento <gitcommits@armiento.net> * Describing the relation between `elements` and `elements_ratios`. * Explicitly listing the requirements on both length and order. * Update optimade.rst Co-authored-by: Rickard Armiento <gitcommits@armiento.net> * Rewording according to @rartino's suggestion. * Reverting accidentally modified definition of `nelements`. Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com> Co-authored-by: Rickard Armiento <gitcommits@armiento.net> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>

CasperWA · 2021-06-10T07:07:47Z

Let's maybe push this through now to patch v1.0? It doesn't matter if v1.1 is coming up soon, patching v1.0 is still very valuable.

ml-evs · 2021-06-10T07:55:02Z

Let's maybe push this through now to patch v1.0? It doesn't matter if v1.1 is coming up soon, patching v1.0 is still very valuable.

Agreed! I just need to remake this PR with the new commits to develop.

This removes: - HTTPValidationError - ValidationError And adds proper support for response codes and their response models for each of the API routes. It also updates a couple of descriptions by removing end-of-the-line white space.

Stay on `1.0.0~develop` Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>

Update schemas according to optimade v0.15.3 This removes: - HTTPValidationError - ValidationError And adds proper support for response codes and their response models for each of the API routes. It also updates a couple of descriptions by removing end-of-the-line white space. It also updates the descriptions according to the latest changes in the specification, specifically the changes to the structures entry resource.

CasperWA · 2021-06-10T14:09:09Z

Rebase + ready for review :)

ml-evs · 2021-06-10T14:13:15Z

Rebase + ready for review :)

It's a bit tricky as I have to rebase and exlude the issue_tracker PR commits, so I will do this in the session later on...

ml-evs · 2021-06-10T18:22:47Z

Started preparing this PR again and had a bad thought... GitHub maps commits to PRs via their hash, and the necessary cherry-picking we have to do here breaks that connection (and hence the connection to the discussions and issues around a PR). This is fine when the PR number has been included in the commit title (as is done automatically for squashes), but is not the case for multi-commit PRs.

Do we care about this? I could add PR numbers to all of the commit messages as part of the rebase?

CasperWA · 2021-06-10T19:09:26Z

Started preparing this PR again and had a bad thought... GitHub maps commits to PRs via their hash, and the necessary cherry-picking we have to do here breaks that connection (and hence the connection to the discussions and issues around a PR). This is fine when the PR number has been included in the commit title (as is done automatically for squashes), but is not the case for multi-commit PRs.

How much cherry-picking do we need to do? :/

Do we care about this? I could add PR numbers to all of the commit messages as part of the rebase?

Hmm... I really wouldn't. The SHAs are still unique and defining in themselves, no?
And the PRs are still there if one needs to dig through them. It should still be more efficient to search through them using GH's search functionality than referencing a commit SHA? Or?

ml-evs · 2021-06-10T19:11:03Z

Started preparing this PR again and had a bad thought... GitHub maps commits to PRs via their hash, and the necessary cherry-picking we have to do here breaks that connection (and hence the connection to the discussions and issues around a PR). This is fine when the PR number has been included in the commit title (as is done automatically for squashes), but is not the case for multi-commit PRs.

How much cherry-picking do we need to do? :/

Do we care about this? I could add PR numbers to all of the commit messages as part of the rebase?

Hmm... I really wouldn't. The SHAs are still unique and defining in themselves, no?
And the PRs are still there if one needs to dig through them. It should still be more efficient to search through them using GH's search functionality than referencing a commit SHA? Or?

I can jump back on and show you what I mean (if you see this within the next 5 mins) otherwise we can discuss tomorrow

CasperWA · 2021-06-10T19:11:41Z

Started preparing this PR again and had a bad thought... GitHub maps commits to PRs via their hash, and the necessary cherry-picking we have to do here breaks that connection (and hence the connection to the discussions and issues around a PR). This is fine when the PR number has been included in the commit title (as is done automatically for squashes), but is not the case for multi-commit PRs.

How much cherry-picking do we need to do? :/

Do we care about this? I could add PR numbers to all of the commit messages as part of the rebase?

Hmm... I really wouldn't. The SHAs are still unique and defining in themselves, no?
And the PRs are still there if one needs to dig through them. It should still be more efficient to search through them using GH's search functionality than referencing a commit SHA? Or?

I can jump back on and show you what I mean (if you see this within the next 5 mins) otherwise we can discuss tomorrow

Let's discuss tomorrow

ml-evs · 2021-06-10T19:12:16Z

Let's discuss tomorrow

😌

* Two formatting tweaks * Tabs to spaces and check in CI * Remove additional commas and add missing quotes in JSON samples - Manually fix some indentation * Turned note back into a quote * Fix indentation for final example

- The issue tracker requires a minor version bump, so in order to release a patch, we must revert it and then re-apply it in order to maintain linear history.

ml-evs · 2021-07-06T13:21:54Z

Superseded by #365 (discussion at #366).

giovannipizzi and others added 27 commits July 1, 2020 17:50

Adding pre-commit tests (for traling whitespaces)

97ba7ef

This is also adds GitHub actions The rest for now are still on Travis and can be moved at a later stage; in any case they require a different environment (java vs. python)

Reverting changes on two test inputs

0c3a9dc

because they were intended to have trailing spaces to check the syntax :-) Excluding these two files explicitly now from the pre-commit

Marking 'develop' for the future work.

c1ee8ec

Merge pull request #311 from Materials-Consortia/develop_further_1.0

5588b55

Marking 'develop' for the future work.

Update .pre-commit-config.yaml

5a49911

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Merge pull request #306 from Materials-Consortia/add-precommit-checks…

c91ceca

…-space Adding pre-commit tests (for trailing whitespaces)

Fixing a typo: 'severing' -> 'serving' (#313)

3c308e3

Added missing species subfields to type list (#316)

fd8247f

Removing space in an URL.

b64c3db

Merge pull request #325 from Materials-Consortia/merkys/remove-space-…

7ba92e0

…in-URL Remove a space in an example URL

Updated schemas to the latest generated by optimade-python-tools (#315)

250a95c

* Updated schemas to the latest generated by optimade-python-tools v0.12.0 Co-authored-by: Casper Welzel Andersen <casper.andersen@epfl.ch>

Migrate CI from Travis to GitHub Actions (#333)

dc980d3

* Added Java tests to GH actions * Renamed GH actions file

Validate OpenAPI schemas in CI with validator.swagger.io (#335)

0938f58

* Added swagger validation using curl/jq and validator.swagger.io * Restructured CI into multiple jobs * Bump pre-commit version as suggested previously * Disabled Travis

Fix incorrect example in assemblies (fixes #317).

a108140

Add field for implementation issue tracker (fixes #337).

05dc9f3

Update optimade.rst

558a71b

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Merge branch 'develop' into add_issue_tracker

afea207

Merge pull request #339 from Materials-Consortia/add_issue_tracker

3cd5936

Add field for implementation issue tracker

Merge branch 'develop' into fix_assemblies_example

1c95024

Merge pull request #338 from Materials-Consortia/fix_assemblies_example

216d7be

Fix incorrect example in assemblies

Added Zenodo citation (#332)

0d1341d

* Added Zenodo citation * Update README.md * Use HTTPS and link to unversioned DOI

Fix spelling errors in specification and update spellcheck tooling (#336

b092c57

) * Sorted allowed word list for cleaner diff * Added new audit tooling for spellchecking * Fixed spelling mistakes in specification and updated .words.lst with 'make fix_spellings'

Redefining 'species'.'mass' as a list of float.

df797e8

Update optimade.rst

e4d795b

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Update optimade.rst

4b6a144

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Merge pull request #344 from merkys/mass-list-of-float

7dadfbc

Redefine species.mass as a list of floats

Updated OpenAPI schemas to those from latest python-tools (v0.12.9) (#…

2b4b77f

…330) * Updated schema to optimade-python-tools v0.12.9

ml-evs mentioned this pull request Mar 2, 2021

Update OpenAPI schemas for v0.13.2 of python-tools #350

Merged

ml-evs and others added 2 commits March 3, 2021 15:22

ml-evs and others added 2 commits May 21, 2021 16:47

Add linking notes between elements and nelements

65d3693

Merge pull request #358 from Materials-Consortia/ml-evs/bandgap_fix

b94a95b

Replace filter/property example 'bandgap' with 'band_gap' for clarity

ml-evs added the priority/high There is a consensus that resolving this should be prioritized. label May 28, 2021

Updated AUTHORS to match paper (#321)

88d0823

ml-evs force-pushed the staging_v1.0.1 branch from aa8e6e2 to d5ac113 Compare May 30, 2021 13:26

ml-evs closed this May 30, 2021

ml-evs force-pushed the staging_v1.0.1 branch from d5ac113 to 39f2a88 Compare May 30, 2021 13:38

ml-evs reopened this May 30, 2021

CasperWA and others added 4 commits June 10, 2021 14:11

Update schemas according to optimade v0.15.2

3ea2d1e

This removes: - HTTPValidationError - ValidationError And adds proper support for response codes and their response models for each of the API routes. It also updates a couple of descriptions by removing end-of-the-line white space.

Update schemas to optimade v0.15.3

7f78481

Apply suggestions from code review

21937bf

Stay on `1.0.0~develop` Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>

Formatting tweaks, JSON fixes and tabs->spaces (#363)

240ac01

* Two formatting tweaks * Tabs to spaces and check in CI * Remove additional commas and add missing quotes in JSON samples - Manually fix some indentation * Turned note back into a quote * Fix indentation for final example

ml-evs changed the title ~~[DRAFT] Staging of v1.0.1 release~~ [ON-HOLD] Staging of v1.0.1 release Jun 14, 2021

Temporarily revert issue_tracker addition (#337)

205ad9b

- The issue tracker requires a minor version bump, so in order to release a patch, we must revert it and then re-apply it in order to maintain linear history.

ml-evs force-pushed the staging_v1.0.1 branch from 94ebb9a to 205ad9b Compare June 14, 2021 17:27

ml-evs mentioned this pull request Jun 14, 2021

The next OPTIMADE release: v1.0.1 or v1.1.0? #366

Closed

ml-evs closed this Jul 6, 2021

ml-evs deleted the staging_v1.0.1 branch July 6, 2021 13:22

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[ON-HOLD] Staging of v1.0.1 release #351

[ON-HOLD] Staging of v1.0.1 release #351

ml-evs commented Feb 26, 2021 •

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[ON-HOLD] Staging of v1.0.1 release #351

[ON-HOLD] Staging of v1.0.1 release #351

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