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86a49ba
specify download 6.3.1
joXemMx Sep 21, 2025
5e82319
added packageversion
joXemMx Sep 21, 2025
388087b
AutoUpdated (#162)
github-actions[bot] Sep 21, 2025
28f812a
Auto-Updated OpenAPI Clients (#163)
github-actions[bot] Sep 22, 2025
c1a6fbd
adapt tests to work with new api
joXemMx Sep 23, 2025
92852a4
fill in missing tests
joXemMx Sep 23, 2025
e9ed990
adjust all R tests, add R acceptance test
joXemMx Sep 25, 2025
29cdea7
hacked solutions for now to make the tests pass, has to be adjusted i…
joXemMx Sep 25, 2025
6ac2c2b
add api.mustache from generator version 7.10 (commit wing328/openapi-…
joXemMx Sep 28, 2025
3002953
fix "Error in `param$toJSONString`: $ operator is invalid for atomic …
joXemMx Sep 28, 2025
48d98cb
fix non-character occurrences of list(progress) and list(command, pro…
joXemMx Sep 28, 2025
66a0f12
correct path
joXemMx Sep 28, 2025
a4b9f88
allow handling of CSV and TSV type data in response
joXemMx Sep 28, 2025
d76900f
allow upload of multiple files by path
joXemMx Sep 28, 2025
f63584d
start wrapping tests in trycatch to make use of finally
joXemMx Sep 28, 2025
ccdd182
test multiple variations of preprocessed data import
joXemMx Sep 29, 2025
2b814c7
set download to 6.3.3-SNAPSHOT
joXemMx Sep 29, 2025
f9a350f
bugfix mustache layout for multi file ulpoad in api class
joXemMx Sep 29, 2025
f407491
ImportMsRunData tests running under 6.3.3-SNAPSHOT
joXemMx Sep 29, 2025
9be86cf
jobs api try-catch
joXemMx Sep 29, 2025
3978742
we don't do = in this town
joXemMx Sep 29, 2025
1a1d791
databases api try-catch
joXemMx Sep 29, 2025
9c0fd76
features api try-catch
joXemMx Sep 29, 2025
64205ac
api_client specify application/json when detecting JSON in form_params
joXemMx Sep 29, 2025
620a1e4
reset latest Sirius Release
joXemMx Oct 1, 2025
f8dbd28
manually update api docs and packageversion
joXemMx Oct 1, 2025
1c149e2
delete null default from Deviation
joXemMx Oct 1, 2025
edb7c66
Auto-Generated RSirius Manual
joXemMx Oct 1, 2025
9693419
add the newest python version
joXemMx Oct 1, 2025
49dc26f
update R versions
joXemMx Oct 1, 2025
aa22033
manually generated and tested R package for 6.3.3-SNAPSHOT
joXemMx Oct 1, 2025
db16726
more in line python package formatting
joXemMx Oct 1, 2025
ca7c5bc
manually generated and tested Python package for 6.3.3-SNAPSHOT
joXemMx Oct 1, 2025
8d15f89
adjust packageVersion to 6.3.3 as Python does not allow 6.3.3-SNAPSHO…
joXemMx Oct 1, 2025
6d64c24
Auto-Generated RSirius Manual
joXemMx Oct 1, 2025
34c3644
try fix login problem in python test workflow
joXemMx Oct 1, 2025
7e6de0e
should fix login
joXemMx Oct 1, 2025
aa08356
try with following step-by-step testing like in python
joXemMx Oct 1, 2025
3193574
specify port manually, runner filesystem seems to be weird for findin…
joXemMx Oct 1, 2025
2f6d915
devtools not installed with rsirius
joXemMx Oct 1, 2025
585eed5
manually set every port in python tests
joXemMx Oct 1, 2025
860f7ba
add acceptance test
joXemMx Oct 1, 2025
d35aa72
change tests into "ascending" order of difficulty
joXemMx Oct 1, 2025
ff01d64
we should not need devtools!
joXemMx Oct 1, 2025
3b98548
missing testthat library call
joXemMx Oct 1, 2025
7fb122f
debugging print for python tests
joXemMx Oct 1, 2025
55bdacb
it seems like the tomato project was not in HOME
joXemMx Oct 1, 2025
ffc48c4
we need to manually cache 6.3.3-SNAPSHOT for testing
joXemMx Oct 2, 2025
d76e918
Revert "we need to manually cache 6.3.3-SNAPSHOT for testing"
joXemMx Oct 2, 2025
309b3c7
Make the test pipeline run again and pass all current, manually valid…
joXemMx Oct 2, 2025
28f6e48
uncomment the getting started readme for R
joXemMx Oct 8, 2025
3db18c8
homogenize and improve wait_for_job function
joXemMx Oct 8, 2025
f1d2a91
helper class for R, homogenize SDK file name
joXemMx Oct 8, 2025
42d48e1
cleaner R readme
joXemMx Oct 8, 2025
0aa549a
add python helper, homogenize filenames
joXemMx Oct 8, 2025
6d3afc5
use helper in tests and simplify imports
joXemMx Oct 8, 2025
e8c2f2b
python helper also in feedstock test
joXemMx Oct 8, 2025
4b298aa
add badges to the conda-forge packages
joXemMx Oct 9, 2025
b2f720c
update badges to tell package versioning
joXemMx Oct 10, 2025
08a770d
add spectral library match test for updated tomato_small.sirius
joXemMx Oct 13, 2025
62e9567
remove unneeded function
joXemMx Oct 14, 2025
b8dd628
fix deserialization for GetSpectralLibraryMatches and GetSpectralLibr…
joXemMx Oct 14, 2025
f6de376
fix deserialization for GetSpectralLibraryMatches and GetSpectralLibr…
joXemMx Oct 14, 2025
1a41fe6
rename Rsirius -> RSirius and generate for fixed api docs
joXemMx Oct 15, 2025
6eff6ed
delete obsolete files
joXemMx Oct 15, 2025
fbddef9
activate mzML import tests for python
joXemMx Oct 15, 2025
dc7bcbb
version is added in generated folders anyway
joXemMx Oct 15, 2025
06e77bb
update to 7.16 generator for PySirius and generate with fixed sirius …
joXemMx Oct 15, 2025
9fcb124
update to mustache from generator v7.16 and add fix for multipart dat…
joXemMx Oct 15, 2025
a0b27bd
Auto-Generated RSirius Manual
joXemMx Oct 15, 2025
9bf0fa2
RSirius library rename adjustment
joXemMx Oct 15, 2025
15abdd9
new super minimal tests for the feedstocks as most things now need login
joXemMx Oct 15, 2025
40f494a
add RSirius rename notice
joXemMx Oct 15, 2025
aa6b479
RSirius rename was missing in folder README
joXemMx Oct 15, 2025
fd9642b
red text does not seem to work (anymore?), try red cube png
joXemMx Oct 15, 2025
9489556
missed code formatting
joXemMx Oct 15, 2025
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34 changes: 17 additions & 17 deletions .github/workflows/NewUpdate.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,8 @@ jobs:
- name: Download latest generators
run: |
cd .updater/openapi_generator
wget https://repo1.maven.org/maven2/org/openapitools/openapi-generator-cli/7.10.0/openapi-generator-cli-7.10.0.jar -O openapi-generator-cli.jar
java -jar openapi-generator-cli.jar version > version
wget -nv https://repo1.maven.org/maven2/org/openapitools/openapi-generator-cli/7.10.0/openapi-generator-cli-7.10.0.jar -O openapi-generator-cli-7.10.jar
wget -nv https://repo1.maven.org/maven2/org/openapitools/openapi-generator-cli/7.16.0/openapi-generator-cli-7.16.0.jar -O openapi-generator-cli-7.16.jar
- name: Download latest Sirius Release
uses: nick-fields/retry@v2
with:
Expand All @@ -34,7 +34,7 @@ jobs:
echo "Writing Version files: $packageVersion"
echo $packageVersion > ./packageVersion.txt
echo "Downloading Version: $packageVersion"
cat ./releases.json | grep 'browser_download_url.*linux-x64.zip\"' | sort | tac | head -n 1 | cut -d : -f 2,3 | tr -d \" | wget -i -
cat ./releases.json | grep 'browser_download_url.*linux-x64.zip\"' | sort | tac | head -n 1 | cut -d : -f 2,3 | tr -d \" | wget -nv -i -
echo "Download Complete"
unzip *.zip
echo "Api Ready"
Expand All @@ -45,7 +45,7 @@ jobs:
run: |
while ! nc -z localhost 8080; do sleep 0.1; done
cd .updater/api
wget http://localhost:8080/v3/api-docs -O api-docs-strings.json
wget -nv http://localhost:8080/v3/api-docs -O api-docs-strings.json
- name: Shutdown SIRIUS
run: curl -X POST http://localhost:8080/actuator/shutdown
- name: Run Rest Api with enums
Expand All @@ -55,7 +55,7 @@ jobs:
run: |
while ! nc -z localhost 8080; do sleep 0.1; done
cd .updater/api
wget http://localhost:8080/v3/api-docs -O api-docs-enums.json
wget -nv http://localhost:8080/v3/api-docs -O api-docs-enums.json
- name: Shutdown SIRIUS
run: curl -X POST http://localhost:8080/actuator/shutdown
- name: Update Clients
Expand All @@ -67,7 +67,7 @@ jobs:
rm -rf client-api_python/generated/docs
rm -rf client-api_python/generated/PySirius

java -jar .updater/openapi_generator/openapi-generator-cli.jar generate -i .updater/api/api-docs-enums.json -c .updater/config/Python/config.json -g python -o client-api_python/generated -t client-api_python/templates/python --additional-properties=packageVersion=$packageVersion
java -jar .updater/openapi_generator/openapi-generator-cli-7.16.jar generate -i .updater/api/api-docs-enums.json -c .updater/config/Python/config.json -g python -o client-api_python/generated -t client-api_python/templates/python --additional-properties=packageVersion=$packageVersion

echo "temporarily move R manual folder"
mv client-api_r/generated/man/ client-api_r/
Expand All @@ -76,28 +76,28 @@ jobs:
rm -rf client-api_r/generated/docs
rm -rf client-api_r/generated/R

java -jar .updater/openapi_generator/openapi-generator-cli.jar generate -i .updater/api/api-docs-strings.json -c .updater/config/R/config.json -g r -o client-api_r/generated -t client-api_r/templates/r --additional-properties=packageVersion=$packageVersion
java -jar .updater/openapi_generator/openapi-generator-cli-7.10.jar generate -i .updater/api/api-docs-strings.json -c .updater/config/R/config.json -g r -o client-api_r/generated -t client-api_r/templates/r --additional-properties=packageVersion=$packageVersion

echo "recover R manual folder"
mv client-api_r/man/ client-api_r/generated/

# echo "generating Ruby Code"
# rm -rf client-api_ruby/generated/*
# java -jar .updater/openapi_generator/openapi-generator-cli.jar generate -i .updater/api/api-docs.json -c .updater/config/Ruby/config.json -g ruby -o client-api_ruby/generated
echo "generating Finished!"
- name: Format Python Package
run: |
cp client-api_python/sirius_api.py client-api_python/generated/PySirius
cp client-api_python/sirius.py client-api_python/generated/PySirius

echo "from PySirius.sirius_api import PySiriusAPI" >> client-api_python/generated/PySirius/__init__.py
echo "from PySirius.sirius import SiriusSDK" >> client-api_python/generated/PySirius/__init__.py
cp client-api_python/pysirius_api.py client-api_python/generated/PySirius
cp client-api_python/pysirius_sdk.py client-api_python/generated/PySirius
cp client-api_python/pysirius_helper.py client-api_python/generated/PySirius

chmod +x ./client-api_python/formatting/format_init.sh
./client-api_python/formatting/format_init.sh
- name: Format R package
run: |
cp client-api_r/SiriusSDK.R client-api_r/generated/R/SiriusSDK.R
cp client-api_r/rsirius_sdk.R client-api_r/generated/R/rsirius_sdk.R
cp client-api_r/rsirius_helper.R client-api_r/generated/R/rsirius_helper.R
echo >> client-api_r/generated/NAMESPACE
echo "# SDK" >> client-api_r/generated/NAMESPACE
echo "export(SiriusSDK)" >> client-api_r/generated/NAMESPACE
echo "export(Helper)" >> client-api_r/generated/NAMESPACE

chmod +x ./client-api_r/patches/list_syntax_fix.sh
./client-api_r/patches/list_syntax_fix.sh
Expand All @@ -109,7 +109,7 @@ jobs:
echo "Done"
- name: Remove Openapi Generator Files
run: |
rm .updater/openapi_generator/openapi-generator-cli.jar
rm .updater/openapi_generator/*.jar
ls ./.github/workflows
echo "Done"
- name: update file and push to remote
Expand Down
41 changes: 24 additions & 17 deletions .github/workflows/PythonTest.yml
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ jobs:
strategy:
fail-fast: false
matrix:
python-version: ["3.9", "3.10", "3.11", "3.12"]
python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]
env:
SIRIUS_USER: ${{ secrets.SIRIUS_USER }}
SIRIUS_PW: ${{ secrets.SIRIUS_PW }}
Expand All @@ -42,10 +42,12 @@ jobs:
path: .updater/api/sirius
key: sirius
fail-on-cache-miss: true
- name: Download tomato_small project space
run: wget ${{ secrets.TOMATO_SMALL_DOWNLOAD_LINK }} -O tomato_small.sirius
- name: Change HOME to working directory of runner
run: echo "HOME=/home/runner/work/sirius-client-openAPI" >> $GITHUB_ENV
- name: Download tomato_small project space
run: |
wget -nv ${{ secrets.TOMATO_SMALL_DOWNLOAD_LINK }} -O $HOME/tomato_small.sirius
chmod 666 $HOME/tomato_small.sirius
- name: Lint with flake8
run: |
# stop the build if there are Python syntax errors or undefined names
Expand Down Expand Up @@ -74,10 +76,11 @@ jobs:
import PySirius
accept_terms = True
account_credentials = PySirius.AccountCredentials(username=os.environ['SIRIUS_USER'], password=os.environ['SIRIUS_PW'])
sdk = SiriusSDK().attach_or_start_sirius()
api_instance = PySirius.LoginAndAccountApi(sdk.get_client())
api = PySirius.SiriusSDK().attach_to_sirius(sirius_port=8080)
api_instance = api.account()
api_response = api_instance.login(accept_terms, account_credentials)
if isinstance(api_response, PySirius.AccountInfo):
print('Login successful!')
exit(0)
else:
print('Login failed, aborting...')
Expand All @@ -87,22 +90,10 @@ jobs:
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_actuator_api.py
working-directory: client-api_python/generated/test
- name: Test compounds API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_compounds_api.py
working-directory: client-api_python/generated/test
- name: Test features API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_features_api.py
working-directory: client-api_python/generated/test
- name: Test info API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_info_api.py
working-directory: client-api_python/generated/test
- name: Test jobs API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_jobs_api.py
working-directory: client-api_python/generated/test
- name: Test login_and_account API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_login_and_account_api.py
Expand All @@ -111,7 +102,23 @@ jobs:
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_projects_api.py
working-directory: client-api_python/generated/test
- name: Test compounds API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_compounds_api.py
working-directory: client-api_python/generated/test
- name: Test searchable_databases API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_searchable_databases_api.py
working-directory: client-api_python/generated/test
- name: Test features API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_features_api.py
working-directory: client-api_python/generated/test
- name: Test jobs API
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_jobs_api.py
working-directory: client-api_python/generated/test
- name: Test acceptance
if: always() && steps.api_start.outcome == 'success' && steps.pysirius_install.outcome == 'success' && steps.login.outcome == 'success'
run: python test_acceptance.py
working-directory: client-api_python/generated/test
100 changes: 0 additions & 100 deletions .github/workflows/RDebug.yml

This file was deleted.

2 changes: 1 addition & 1 deletion .github/workflows/RManualGeneration.yml
Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@ jobs:
strategy:
fail-fast: false
matrix:
r-version: ["4.4.0"]
r-version: ["4.5"]
steps:
- uses: actions/checkout@v3
- name: Set up R ${{ matrix.r-version }}
Expand Down
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