Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / exabyte-io/express issues and pull requests

#146 - SOF-7417: consider non-collinear case while parsing qe bandstructure

Pull Request - State: closed - Opened by pranabdas 6 months ago - 1 comment

#145 - feature/SOF-7266-1-round-coordinates-update-precision-x2

Pull Request - State: closed - Opened by VsevolodX 12 months ago

#144 - update: round materials coordinates, lattice params

Pull Request - State: closed - Opened by VsevolodX 12 months ago

#143 - feature/SOF-7266-1-round-coordinates

Pull Request - State: closed - Opened by VsevolodX 12 months ago

#141 - chore: tmp remove rdkit

Pull Request - State: closed - Opened by timurbazhirov about 1 year ago

#140 - update: allow for python versions >3.8

Pull Request - State: closed - Opened by timurbazhirov about 1 year ago

#137 - SOF-7136: property parsers for Hubbard V parameters

Pull Request - State: closed - Opened by pranabdas about 1 year ago

#136 - test/SOF-7090: test failures with missing package init

Pull Request - State: closed - Opened by chu-k about 1 year ago

#135 - chore/SOF-7090: fix missing init for nested xml parsers

Pull Request - State: closed - Opened by chu-k about 1 year ago

#134 - feature/SOF-7090: tests/fixtures for express parser version

Pull Request - State: closed - Opened by chu-k about 1 year ago

#133 - feature: support for QE XML for versions over 6.4

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

#132 - SOF-6892: property parser for hp.x output

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

#131 - Feat/sof 6970

Pull Request - State: closed - Opened by azech-hqs over 1 year ago

#130 - test/SOF-6738: add test coverage for material

Pull Request - State: closed - Opened by chu-k over 1 year ago

#129 - fix: bump pymatgen in setup.cfg

Pull Request - State: closed - Opened by chu-k over 1 year ago

#128 - Fix/SOF-6736

Pull Request - State: closed - Opened by azech-hqs over 1 year ago

#127 - feat/SOF-6640-2

Pull Request - State: closed - Opened by chu-k over 1 year ago

#126 - feat/SOF-6640-1

Pull Request - State: closed - Opened by chu-k over 1 year ago

#125 - chore(deps-dev): bump certifi from 2020.6.20 to 2022.12.7

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies

#124 - chore: update pymatgen

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

#123 - chore: rename averaged -> average

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

#122 - fix: failing GitHub actions due to numpy version conflict

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

#121 - Chore/sof 5005

Pull Request - State: closed - Opened by azech-hqs about 2 years ago - 1 comment

#120 - Feature/sof 6377

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

#119 - fix: unpin numpy and let pymatgen install

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

#118 - Feature/SOF-5388-1

Pull Request - State: open - Opened by adewyer almost 3 years ago - 1 comment
Labels: come-back-later

#117 - SOF-5666

Pull Request - State: closed - Opened by adewyer almost 3 years ago

#116 - fix: github token

Pull Request - State: closed - Opened by tjduigna about 3 years ago

#115 - Feature/sof 5265

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

#114 - SOF 5451 - Adds github workflow for tests and publish

Pull Request - State: closed - Opened by tjduigna about 3 years ago

#113 - Feature/sof 5394 - Tests Overhaul

Pull Request - State: closed - Opened by timurbazhirov about 3 years ago

#112 - Feature/SOF 5358

Pull Request - State: closed - Opened by tjduigna about 3 years ago - 2 comments

#111 - SOF-5353 - Add application version reporting to espresso units

Pull Request - State: open - Opened by AcylSilane about 3 years ago
Labels: come-back-later

#110 - SOF-5417 - Dependabot Dependencies

Pull Request - State: closed - Opened by AcylSilane about 3 years ago

#109 - SOF-5418 - Dependabot PRs

Pull Request - State: closed - Opened by AcylSilane about 3 years ago

#108 - Feature/sof 5394 round2 actual

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

#107 - Feature/sof 5394 round3

Pull Request - State: closed - Opened by AcylSilane about 3 years ago

#106 - Feature/sof 5394 round2

Pull Request - State: closed - Opened by AcylSilane about 3 years ago

#105 - SOF-5394 - Refactor espresso unit tests

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

#104 - SOF-5359 - Espresso eigenvalues at kpoints

Pull Request - State: closed - Opened by AcylSilane about 3 years ago

#103 - SOF-5358 - Infer number of spins based on output

Pull Request - State: closed - Opened by AcylSilane about 3 years ago

#102 - SOF-5357 - Reciprocal lattice vectors for Espresso outputs

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

#101 - SOF-5356 - New espresso version tests

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

#100 - SOF-5355 - New espresso test fixtures

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

#100 - SOF-5355 - New espresso test fixtures

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

#99 - SOF-5329 - Espresso XML

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

#98 - Release/2021.11.26

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

#97 - release/2021.11.26

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

#96 - SOF-5099: cell --> cell_type

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

#95 - Feature/sof 5098

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

#94 - added max_radii, n_atoms, and point group symmetry

Pull Request - State: closed - Opened by adewyer over 3 years ago - 2 comments

#93 - MoleculeParser set to child of StructureParser

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

#92 - Feature/sof 5057

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

#91 - feature/SOF-4476-JRD

Pull Request - State: closed - Opened by AcylSilane over 3 years ago - 2 comments

#90 - fix for missing express.properties.structural module

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

#89 - Feature/sof 4470

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

#88 - Bump urllib3 from 1.24.2 to 1.26.5

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

#87 - inchi generation for butler through express

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

#86 - Release/2021.05.06

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

#85 - Bump updated dependencies

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

#84 - Feature/sof 4420 - Improved predict workflow names

Pull Request - State: closed - Opened by AcylSilane almost 4 years ago

#83 - Implement setuptools-scm.

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#82 - Feature/SOF-4360 - Refactor __init__ signatures

Pull Request - State: closed - Opened by AcylSilane almost 4 years ago

#81 - Release/2021.04.12

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#80 - Advance esse dev dependency

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#79 - Feature/sof 4399 - ML Intermediate Misc Changes

Pull Request - State: closed - Opened by AcylSilane almost 4 years ago

#78 - Epic/sof 4222 - ML Intermediate Implementation

Pull Request - State: closed - Opened by AcylSilane almost 4 years ago

#76 - Feature/SOF-4391 - Rupy usage of runtime context variables

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

#75 - Bump pyyaml from 5.3.1 to 5.4

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago
Labels: dependencies

#74 - Feature/sof 4330 - Add tags to workflow units

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

#73 - feature/SOF-4333 - Workflow generation unit test

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

#72 - Bump jinja2 from 2.10.1 to 2.11.3

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago
Labels: dependencies

#71 - Feature/sof 4212

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

#70 - Release/2021.03.15

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#69 - Release/2021.03.15

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#68 - Epic/sof 4190 - ML Proof of Concept Feature

Pull Request - State: closed - Opened by AcylSilane almost 4 years ago

#67 - Feature/sof 4310 - Successful predict workflow generation for ML Quick

Pull Request - State: closed - Opened by AcylSilane almost 4 years ago

#66 - first crack at the file_content property extractor

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#65 - Epic/sof 4116 nwchem

Pull Request - State: closed - Opened by triplepoint almost 4 years ago

#64 - resolved express pymatgen/numpy errors with python versions => 3.7

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

#63 - Feature/sof 4118c

Pull Request - State: closed - Opened by adewyer almost 4 years ago

#62 - Bare/Naked exception catching

Issue - State: open - Opened by mpkocher almost 4 years ago - 1 comment

#61 - implement versioneer

Pull Request - State: closed - Opened by triplepoint about 4 years ago

#60 - Feature/sof 4118

Pull Request - State: closed - Opened by adewyer about 4 years ago - 2 comments

#59 - updated nwchem test run.sh file for nwchem 7.0.2 instead of nwchem 6.6

Pull Request - State: closed - Opened by adewyer about 4 years ago

#58 - update run.sh for nwchem 7.0.2 instead of 6.6

Pull Request - State: closed - Opened by adewyer about 4 years ago - 1 comment

#57 - Release 2020.10.19.3. Cleanups.

Pull Request - State: closed - Opened by triplepoint about 4 years ago

#56 - Feature/sof 4154

Pull Request - State: open - Opened by csadorf about 4 years ago - 1 comment
Labels: come-back-later

#55 - SOF-4120-1 nwchem addition to express

Pull Request - State: closed - Opened by adewyer about 4 years ago

#54 - Fix typo ('find_files' instead of 'find_files') in utils module.

Pull Request - State: closed - Opened by csadorf about 4 years ago

#53 - Feature/sof 4120 1

Pull Request - State: closed - Opened by adewyer about 4 years ago

#52 - Feature/sof 4120

Pull Request - State: closed - Opened by adewyer about 4 years ago - 2 comments

#51 - Migrate from Bunch to Munch

Pull Request - State: closed - Opened by triplepoint over 4 years ago

#49 - bump the package version to the next release version

Pull Request - State: closed - Opened by triplepoint over 4 years ago

#48 - Bump werkzeug from 0.15.1 to 0.15.3

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