Ecosyste.ms: Issues

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GitHub / boinc/boinc-autodock-vina issues and pull requests

#96 - Fix build

Pull Request - State: closed - Opened by AenBleidd 8 months ago
Labels: T: bugfix, A: boinc-autodock-vina

#95 - [boinc-autodock-vina] Fix build

Pull Request - State: closed - Opened by AenBleidd 10 months ago
Labels: T: bugfix, A: boinc-autodock-vina

#94 - Rename repo from general 'boinc-apps' to more exact 'boinc-autodock-vina'

Pull Request - State: closed - Opened by AenBleidd 11 months ago
Labels: T: enhancement, A: boinc-autodock-vina

#88 - [boinc-autodock-vina] Fix coverity

Pull Request - State: closed - Opened by AenBleidd over 1 year ago
Labels: T: bugfix, A: boinc-autodock-vina

#87 - [boinc-autodock-vina] Fix paths to renamed vcpkg triplets

Pull Request - State: closed - Opened by AenBleidd over 1 year ago
Labels: T: bugfix, A: boinc-autodock-vina

#86 - [boinc-autodock-vina] Build linux binaries under debian:buster to link against older glibc

Pull Request - State: closed - Opened by AenBleidd over 1 year ago
Labels: T: bugfix, A: boinc-autodock-vina

#85 - [boinc-autodock-vina] build linux binaries with the older libc

Pull Request - State: closed - Opened by AenBleidd over 1 year ago
Labels: T: bugfix, A: boinc-autodock-vina

#84 - [boinc-autodock-vina] Fix config field name, add unit tests.

Pull Request - State: closed - Opened by AenBleidd over 1 year ago - 1 comment
Labels: T: bugfix, A: boinc-autodock-vina

#83 - [boinc-autodock-vina] Simplify configuration by removing ambiguous vinardo configuration fields

Pull Request - State: closed - Opened by AenBleidd over 1 year ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#82 - [boinc-autodock-vina] Refactoring, simplify configuration class.

Pull Request - State: closed - Opened by AenBleidd over 1 year ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#81 - [boinc-autodock-vina] Simplify config.

Pull Request - State: closed - Opened by AenBleidd over 1 year ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#80 - [boinc-autodock-vina] Add AD4 and Vinardo unit tests

Pull Request - State: closed - Opened by AenBleidd over 1 year ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#79 - Move zip_helper out of boinc-autodock-vina folder.

Pull Request - State: closed - Opened by AenBleidd over 1 year ago
Labels: T: enhancement, A: boinc-autodock-vina

#78 - Simplify custom triplets

Pull Request - State: closed - Opened by AenBleidd almost 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#77 - [boinc-autodock-vina] Simplify config, fix flex parameter pass

Pull Request - State: closed - Opened by AenBleidd almost 2 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#76 - [boinc-autodock-vina] Remove wu generator and validator, simplify config and fix documentation.

Pull Request - State: closed - Opened by AenBleidd almost 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#73 - Test

Pull Request - State: closed - Opened by AenBleidd almost 2 years ago

#70 - Update OSX CI to use XCode 14.2.0

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#69 - [boinc-autodock-vina] Add WU validator

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: enhancement

#68 - [boinc-autodock-vina] Make app singlethreaded

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#67 - Create release script

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: enhancement

#66 - [boinc-autodock-vina] Fix filename resolve

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#65 - [boinc-autodock-vina] Fix build for arm and armneon by manually specifying gcc/g++ 9 to build with

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#64 - [boinc-autodock-vina] Strip release binaries

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#63 - [boinc-autodock-vina] Fix documentation

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#62 - [boinc-autodock-vina] Update sample ligand

Pull Request - State: closed - Opened by AenBleidd about 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#61 - [boinc-autodock-vina] Update GitHub Actions to avoid deprecations

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#60 - Test workaround

Pull Request - State: closed - Opened by AenBleidd over 2 years ago

#59 - Temporary remove vcpkg cache from windows build

Pull Request - State: closed - Opened by AenBleidd over 2 years ago

#58 - [boinc-autodock-vina] Update Android Ndk to r23c

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina, R: fixed

#57 - Add support of input/output data encryption/decryption

Issue - State: open - Opened by AenBleidd over 2 years ago
Labels: T: story, A: boinc-autodock-vina

#56 - [boinc-autodock-vina] Simplify json schema.

Pull Request - State: closed - Opened by AenBleidd over 2 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#55 - Update CodeQL to v2

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: enhancement

#54 - [boinc-autodock-vina] Make 'output.out' parameter optional.

Pull Request - State: closed - Opened by AenBleidd over 2 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#54 - [boinc-autodock-vina] Make 'output.out' parameter optional.

Pull Request - State: closed - Opened by AenBleidd over 2 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#53 - [boinc-autodock-vina] Do not print full paths

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#53 - [boinc-autodock-vina] Do not print full paths

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#52 - [boinc-autodock-vina] Add possibility to generator to process input stream from std::cin

Pull Request - State: closed - Opened by AenBleidd over 2 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#52 - [boinc-autodock-vina] Add possibility to generator to process input stream from std::cin

Pull Request - State: closed - Opened by AenBleidd over 2 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina

#51 - Rename 'armneon-linux-static' triplet to 'arm-neon-linux-static'

Issue - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: bug, A: boinc-autodock-vina, R: rejected

#50 - [CI] Fix typo in arm-neon build type for linux

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#50 - [CI] Fix typo in arm-neon build type for linux

Pull Request - State: closed - Opened by AenBleidd over 2 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#49 - [CI] Add Coverity model file

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#49 - [CI] Add Coverity model file

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#48 - [CI] Add CodeQL flow. Fix Coverity flow to use vcpkg cache

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#48 - [CI] Add CodeQL flow. Fix Coverity flow to use vcpkg cache

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#47 - [CI] Fix AWS S3 usage from forks

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#46 - Enable AWS S3 anonymous support of vcpkg binary cache

Issue - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: fixed

#46 - Enable AWS S3 anonymous support of vcpkg binary cache

Issue - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: fixed

#45 - Use aws cli tool to manage vcpkg binary cache

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#44 - [boinc-autodock-vina] Increment version to 1.0.1

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#43 - [CI] Run all builds nightly except of coverity that still should run weekly

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement

#42 - Remove deprecated '--pH' parameter

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: bugfix, A: boinc-autodock-vina

#41 - Add 'common' category to codecov report

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#40 - Add support of autodock-vina scripts

Issue - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#39 - Add support of multiligand tasks inside one WU

Issue - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#38 - Remove `dir` parameter

Issue - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#37 - Run coverage report as a separate flow on linux x64 only.

Pull Request - State: closed - Opened by AenBleidd almost 3 years ago - 1 comment
Labels: T: bugfix, A: boinc-autodock-vina

#36 - Fix codecov

Issue - State: closed - Opened by AenBleidd almost 3 years ago
Labels: T: bug, A: boinc-autodock-vina, R: fixed

#35 - Add boinc-autodock-vina WU generator

Pull Request - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, PR: review-required

#34 - Add support of directories inside input ZIP archives

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#33 - Change `std::string` to `std::filesystem::path` where applicable

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#32 - Implement multithreaded processing of input data during WU generation

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#31 - Implement data caching to skip multiple processing of the same input data during WU generation

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#30 - Implement receptor/ligand data download from known Open Databases on WU generation

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: rejected

#29 - Make 'output' parameters optional and fill them from the input data when needed

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: fixed

#28 - Implement WU generation when multiple receptors and ligands are introduced in JSON file

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina

#27 - work-generator implementation

Pull Request - State: closed - Opened by AenBleidd about 3 years ago - 1 comment

#26 - Add new triplets

Pull Request - State: closed - Opened by AenBleidd about 3 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina, PR: review-required

#25 - Add Android support

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina

#24 - Add OSX arm64 support

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina

#23 - Add linux arm64 support

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina

#22 - Add linux arm (32-bit) support

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina

#21 - Handle multiple ligands and multiple batch modes by ourselves to enab…

Pull Request - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina

#20 - Use proper OpenCppCoverage tool configuration when running tests on ci

Pull Request - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: enhancement, PR: reviewed

#19 - Update autodock-vina to v1.2.3

Pull Request - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, PR: reviewed

#18 - Add versioning to boinc-autodock-vina application

Pull Request - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, PR: reviewed

#17 - Add automatic versioning

Issue - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: fixed

#16 - Add README.md file with JSON input schema description for boinc-autod…

Pull Request - State: closed - Opened by AenBleidd about 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, PR: reviewed

#15 - Fix linux build

Pull Request - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: bugfix

#14 - Proper multithread handling added.

Pull Request - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, PR: reviewed

#13 - Add codecov and coverity reports to the ci

Pull Request - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: enhancement, PR: reviewed

#12 - Add codecov

Pull Request - State: closed - Opened by AenBleidd over 3 years ago

#11 - Document input json format

Issue - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: story, A: boinc-autodock-vina, R: fixed

#10 - Show correct task progress when working with single ligand

Pull Request - State: closed - Opened by AenBleidd over 3 years ago - 1 comment
Labels: T: enhancement, A: boinc-autodock-vina, PR: reviewed

#9 - Show correct task progress when working with single ligand

Pull Request - State: closed - Opened by AenBleidd over 3 years ago - 3 comments
Labels: T: enhancement, A: boinc-autodock-vina, R: rejected

#8 - Show real progress of the task

Issue - State: closed - Opened by AenBleidd over 3 years ago - 1 comment
Labels: T: story, A: boinc-autodock-vina

#7 - Make checkpoints when in 'batch' mode

Issue - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: story, A: boinc-autodock-vina

#6 - Remove 'cpu' parameter from json and make it configurable from the boinc client

Issue - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, R: fixed

#5 - Review json parameters and remove not needed

Issue - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: enhancement, A: boinc-autodock-vina, R: fixed

#4 - Add OSX x64 workflow to CI.

Pull Request - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: story, A: boinc-autodock-vina, PR: reviewed

#3 - Configure AWS vcpkg binary cache

Pull Request - State: closed - Opened by AenBleidd over 3 years ago

#2 - Add boinc-autodock-vina app

Pull Request - State: closed - Opened by AenBleidd over 3 years ago
Labels: T: story, A: boinc-autodock-vina, PR: reviewed

#1 - boinc-autodock-vina test

Pull Request - State: closed - Opened by AenBleidd over 3 years ago