Ecosyste.ms: Issues

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GitHub / pyiron/pyiron_contrib issues and pull requests

#612 - Bump boto3 from 1.26.84 to 1.26.89

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 2 comments
Labels: dependencies

#611 - No files fails better

Pull Request - State: closed - Opened by liamhuber over 1 year ago - 2 comments

#610 - Remove needs for notebook CI job

Pull Request - State: closed - Opened by liamhuber over 1 year ago - 1 comment

#609 - Tinybase: Reconstructing pyiron_base, just smaller

Pull Request - State: open - Opened by pmrv over 1 year ago - 8 comments
Labels: enhancement

#608 - LammpsInteractiveWithoutOutput broken

Issue - State: closed - Opened by liamhuber over 1 year ago - 4 comments

#607 - Bump boto3 from 1.26.79 to 1.26.84

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#606 - Bump scikit-image from 0.19.3 to 0.20.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 3 comments
Labels: dependencies

#605 - Bump matplotlib from 3.7.0 to 3.7.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 2 comments
Labels: dependencies

#604 - Bump moto from 4.1.3 to 4.1.4

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#603 - Alternative to pyiron_base#1044

Pull Request - State: closed - Opened by pmrv over 1 year ago - 5 comments

#602 - Bump boto3 from 1.26.74 to 1.26.79

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#601 - Clean up jobs in nofiles

Pull Request - State: closed - Opened by jan-janssen over 1 year ago - 1 comment

#600 - NoFiles: Include updates from pyiron_base

Pull Request - State: closed - Opened by jan-janssen over 1 year ago - 1 comment

#599 - NoFiles: Do not create working directories for GenericMaster jobs

Pull Request - State: closed - Opened by jan-janssen over 1 year ago - 1 comment

#598 - Merge master

Pull Request - State: closed - Opened by jan-janssen over 1 year ago

#597 - Avoid reconstructing atoms in TrainingStorage

Pull Request - State: closed - Opened by pmrv over 1 year ago - 1 comment

#596 - Add plotting function to show training errors on a log scale

Pull Request - State: closed - Opened by pmrv over 1 year ago - 1 comment

#592 - Bump scipy from 1.10.0 to 1.10.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 2 comments
Labels: dependencies

#591 - Create pympipool based Master jobs

Pull Request - State: closed - Opened by jan-janssen over 1 year ago - 2 comments

#589 - LAMMPS: Add support for external MPI communicators

Pull Request - State: closed - Opened by jan-janssen over 1 year ago - 2 comments

#587 - Remove constraint

Pull Request - State: closed - Opened by jan-janssen over 1 year ago - 1 comment

#581 - Bump pyiron-base from 0.5.31 to 0.5.32

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 4 comments
Labels: dependencies

#577 - Graph-based pyiron workflows

Pull Request - State: closed - Opened by liamhuber over 1 year ago - 12 comments

#575 - Graphs in python

Issue - State: closed - Opened by jan-janssen over 1 year ago - 1 comment

#551 - Missing deps in conda package

Issue - State: open - Opened by pmrv almost 2 years ago - 1 comment

#538 - Add files via upload

Pull Request - State: open - Opened by Debarchan1994 almost 2 years ago - 1 comment

#537 - Upload FitSNAP example

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

#465 - Tutorial niklas

Pull Request - State: closed - Opened by niklassiemer about 2 years ago - 2 comments

#464 - WIP: Sarath's workflow

Pull Request - State: closed - Opened by srmnitc about 2 years ago

#463 - Just a draft: Work in progress

Pull Request - State: closed - Opened by skatnagallu about 2 years ago

#429 - add pot_to_df function for meam

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

#369 - Create functioning QHA

Pull Request - State: closed - Opened by samwaseda over 2 years ago - 1 comment

#335 - Atomicrex file compression list

Pull Request - State: closed - Opened by Leimeroth over 2 years ago - 1 comment

#294 - ADD FHIaims

Pull Request - State: closed - Opened by jan-janssen almost 3 years ago - 4 comments

#291 - Mlip Descriptor Job

Pull Request - State: closed - Opened by pmrv almost 3 years ago - 2 comments
Labels: enhancement

#287 - First draft of quantum espresso interface based on ASE

Pull Request - State: closed - Opened by jan-janssen almost 3 years ago - 7 comments

#174 - Updated protocols

Pull Request - State: closed - Opened by raynol-dsouza over 3 years ago - 6 comments

#102 - Simple atomistic

Pull Request - State: closed - Opened by samwaseda over 3 years ago - 1 comment

#69 - Add module __init__ for training database job

Pull Request - State: closed - Opened by pmrv over 3 years ago - 1 comment

#66 - Add versioneer to setup.py

Pull Request - State: closed - Opened by jan-janssen over 3 years ago - 1 comment

#65 - move atomicrex interface development to contrib

Pull Request - State: closed - Opened by Leimeroth over 3 years ago - 30 comments
Labels: help wanted

#63 - Bump pyiron-atomistics from 0.2.2 to 0.2.3

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 1 comment
Labels: dependencies

#61 - Change dependencies before upload

Pull Request - State: closed - Opened by jan-janssen over 3 years ago - 1 comment

#60 - Bump pyiron from 0.3.6 to 0.4.0

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 2 comments
Labels: dependencies

#59 - Bump seaborn from 0.11.0 to 0.11.1

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 1 comment
Labels: dependencies

#58 - Bump numpy from 1.19.1 to 1.20.0

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 2 comments
Labels: dependencies

#57 - Bump matplotlib from 3.2.1 to 3.3.4

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 1 comment
Labels: dependencies

#56 - Bump scikit-image from 0.17.2 to 0.18.1

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 1 comment
Labels: dependencies

#55 - Bump ase from 3.19.1 to 3.21.1

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 1 comment
Labels: dependencies

#54 - Bump scipy from 1.5.2 to 1.6.0

Pull Request - State: closed - Opened by dependabot-preview[bot] over 3 years ago - 1 comment
Labels: dependencies

#53 - Have static dependences - prepare for Dependabot

Pull Request - State: closed - Opened by jan-janssen over 3 years ago - 1 comment

#51 - Add a stripped down container for potential training data

Pull Request - State: closed - Opened by pmrv over 3 years ago - 1 comment

#50 - Add minimal readthedoc support for API docs

Pull Request - State: closed - Opened by pmrv over 3 years ago - 4 comments

#48 - :bug: Compare index to number by == instead of is

Pull Request - State: closed - Opened by niklassiemer over 3 years ago - 1 comment

#46 - Update environment.yml

Pull Request - State: closed - Opened by niklassiemer over 3 years ago - 1 comment

#45 - Update protocols to run with pyiron_atomistics

Pull Request - State: closed - Opened by raynol-dsouza over 3 years ago - 10 comments

#44 - Create .coveralls.yml

Pull Request - State: closed - Opened by jan-janssen over 3 years ago - 1 comment

#43 - Fenics - just testing

Pull Request - State: closed - Opened by jan-janssen almost 4 years ago - 2 comments

#41 - Fenics integration tests - the tests are only executed when pushed to master

Pull Request - State: closed - Opened by jan-janssen almost 4 years ago - 5 comments

#39 - Fix bug in from_hdf

Pull Request - State: closed - Opened by raynol-dsouza almost 4 years ago - 12 comments

#37 - Move notebooks to the parent level, as in the main pyiron repo

Pull Request - State: closed - Opened by liamhuber almost 4 years ago - 1 comment

#36 - Introducing a file browser GUI

Pull Request - State: closed - Opened by niklassiemer almost 4 years ago - 4 comments
Labels: enhancement

#35 - adding FEniCS job

Pull Request - State: closed - Opened by max-hassani almost 4 years ago - 5 comments

#34 - Protect master branch

Pull Request - State: closed - Opened by jan-janssen almost 4 years ago - 1 comment

#33 - No pip update

Pull Request - State: closed - Opened by jan-janssen almost 4 years ago - 1 comment

#32 - Merge working protocols into master

Pull Request - State: closed - Opened by raynol-dsouza almost 4 years ago - 4 comments

#31 - Ci conda

Pull Request - State: closed - Opened by jan-janssen almost 4 years ago - 1 comment

#28 - SQS Elastic constants

Pull Request - State: closed - Opened by liamhuber almost 4 years ago - 6 comments

#26 - Add more jobs from pyiron_mpie

Pull Request - State: closed - Opened by jan-janssen almost 4 years ago - 22 comments