Ecosyste.ms: Issues

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

GitHub / Quantum-Accelerators/quacc issues and pull requests

#2527 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 23 days ago - 2 comments

#2526 - Bump parsl[monitoring] from 2024.10.21 to 2024.10.28

Pull Request - State: closed - Opened by dependabot[bot] 23 days ago - 2 comments
Labels: dependencies, python

#2525 - Bump prefect[dask] from 3.0.11 to 3.1.0

Pull Request - State: closed - Opened by dependabot[bot] 23 days ago - 2 comments
Labels: dependencies, python

#2524 - Bump numpy from 1.26.4 to 2.1.3

Pull Request - State: closed - Opened by dependabot[bot] 23 days ago - 2 comments
Labels: dependencies, python

#2523 - Bump pymatgen from 2024.10.3 to 2024.10.29

Pull Request - State: closed - Opened by dependabot[bot] 23 days ago - 2 comments
Labels: dependencies, python

#2522 - Bump pydantic-settings from 2.6.0 to 2.6.1

Pull Request - State: closed - Opened by dependabot[bot] 23 days ago - 2 comments
Labels: dependencies, python

#2521 - Make Quacc compatible with Parsl's checkpointing capabilities

Pull Request - State: closed - Opened by tomdemeyere 27 days ago - 10 comments

#2520 - Bump phonopy from 2.29.0 to 2.29.1

Pull Request - State: closed - Opened by dependabot[bot] 30 days ago - 2 comments
Labels: dependencies, python

#2519 - Bump pymatgen from 2024.10.3 to 2024.10.27

Pull Request - State: closed - Opened by dependabot[bot] 30 days ago - 2 comments
Labels: dependencies, python

#2518 - Bump prefect[dask] from 3.0.10 to 3.0.11

Pull Request - State: closed - Opened by dependabot[bot] 30 days ago - 2 comments
Labels: dependencies, python

#2517 - Bump covalent-cloud from 0.73.0 to 0.81.0

Pull Request - State: closed - Opened by dependabot[bot] 30 days ago - 2 comments
Labels: dependencies, python

#2516 - Fix test suite

Pull Request - State: closed - Opened by Andrew-S-Rosen about 1 month ago - 1 comment

#2515 - Bump pymatgen-analysis-defects from 2024.7.19 to 2024.10.22

Pull Request - State: open - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2514 - Bump pymatgen from 2024.10.3 to 2024.10.22

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2513 - Bump phonopy from 2.28.0 to 2.29.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2512 - Bump parsl[monitoring] from 2024.10.14 to 2024.10.21

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2511 - Prefect utils fix resultrecord

Pull Request - State: closed - Opened by zulissimeta about 1 month ago - 5 comments

#2509 - Bump monty from 2024.7.30 to 2024.10.21

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2507 - Bump pydantic-settings from 2.5.2 to 2.6.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2506 - Bump prefect[dask] from 3.0.9 to 3.0.10

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2505 - Bump custodian from 2024.10.15 to 2024.10.16

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2504 - Bump psutil from 5.9.8 to 6.1.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2503 - Bump dask[distributed] from 2024.9.1 to 2024.10.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2501 - Failed in redecorating ESPRESSO_PARALLEL_CMD with jobflow

Issue - State: open - Opened by yw-fang about 1 month ago - 2 comments

#2500 - Bump prefect[dask] from 3.0.8 to 3.0.9

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2499 - Bump sella from 2.3.4 to 2.3.5

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2498 - Bump parsl[monitoring] from 2024.10.7 to 2024.10.14

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2497 - Bump custodian

Pull Request - State: closed - Opened by Andrew-S-Rosen about 1 month ago - 1 comment

#2496 - Bump custodian from 2024.6.24 to 2024.10.14

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago - 2 comments
Labels: dependencies, python

#2495 - Bump prefect[dask] from 3.0.4 to 3.0.8

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2494 - Bump maggma from 0.69.4 to 0.70.0

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2493 - Bump parsl[monitoring] from 2024.9.30 to 2024.10.7

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2492 - Error thrown from example script: AttributeError: 'function' object has no attribute 'metadata'

Issue - State: closed - Opened by wladerer about 2 months ago - 6 comments
Labels: bug

#2490 - Skzcam input file

Pull Request - State: closed - Opened by benshi97 about 2 months ago - 2 comments

#2489 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 months ago - 2 comments

#2488 - Bump numpy from 1.26.4 to 2.1.2

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2487 - Bump pymatgen from 2024.9.17.1 to 2024.10.3

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2485 - fix doc of espresso.py

Pull Request - State: closed - Opened by yw-fang about 2 months ago - 3 comments

#2484 - Bump parsl[monitoring] from 2024.9.23 to 2024.9.30

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2483 - Bump prefect[dask] from 3.0.3 to 3.0.4

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2482 - Bump maggma from 0.69.3 to 0.69.4

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2481 - Bump dask[distributed] from 2024.9.0 to 2024.9.1

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago - 2 comments
Labels: dependencies, python

#2480 - Bump atomate2 from 0.0.14 to 0.0.16

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2479 - Bump parsl[monitoring] from 2024.9.16 to 2024.9.23

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2478 - Bump prefect[dask] from 3.0.2 to 3.0.3

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2477 - Bump pymatgen from 2024.9.17 to 2024.9.17.1

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2476 - Bump pydantic from 2.9.1 to 2.9.2

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2475 - Bump emmet-core from 0.83.6 to 0.84.2

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2474 - Update type hints

Pull Request - State: closed - Opened by Andrew-S-Rosen 2 months ago - 1 comment

#2472 - Bump dask[distributed] from 2024.8.2 to 2024.9.0

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2471 - Bump phonopy from 2.27.0 to 2.28.0

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2470 - Bump pymatgen from 2024.7.18 to 2024.9.17

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2469 - Bump prefect[dask] from 3.0.1 to 3.0.2

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2468 - Bump chgnet from 0.3.8 to 0.4.0

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2467 - Bump pydantic-settings from 2.4.0 to 2.5.2

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2466 - Bump jobflow-remote from 0.1.3 to 0.1.4

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2465 - Bump parsl[monitoring] from 2024.9.2 to 2024.9.16

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 2 comments
Labels: dependencies, python

#2464 - Update atomate2 pin in pyproject.toml

Pull Request - State: closed - Opened by Andrew-S-Rosen 2 months ago - 1 comment

#2463 - add line split for potcar_symbols

Pull Request - State: closed - Opened by chiang-yuan 2 months ago - 6 comments

#2462 - Small bugfix for async prefect functions

Pull Request - State: closed - Opened by zulissimeta 2 months ago - 6 comments

#2461 - Small bug fix for async prefect flows

Pull Request - State: closed - Opened by zulissimeta 2 months ago - 2 comments

#2460 - resolve all quacc/prefect flow futures to data make prefect happy

Pull Request - State: closed - Opened by zulissimeta 3 months ago - 5 comments

#2459 - Bump pydantic from 2.8.2 to 2.9.1

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2458 - Bump prefect[dask] from 3.0.0 to 3.0.1

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2457 - mp_gga_relax_job pseudopotential parsing bug

Issue - State: closed - Opened by zulissimeta 3 months ago - 2 comments
Labels: bug

#2456 - Bump prefect[dask] from 2.20.4 to 3.0.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2455 - Bump redun from 0.21.0 to 0.22.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2454 - Bump numpy from 1.26.4 to 2.1.1

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2453 - Bump parsl[monitoring] from 2024.8.26 to 2024.9.2

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2452 - Firework setup

Issue - State: closed - Opened by ericyuan00000 3 months ago - 1 comment
Labels: bug

#2451 - Bump jobflow-remote from 0.1.2 to 0.1.3

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2450 - Bump parsl[monitoring] from 2024.8.19 to 2024.8.26

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2449 - Bump prefect[dask] from 2.20.3 to 2.20.4

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2448 - Bump dask[distributed] from 2024.8.1 to 2024.8.2

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2447 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 2 comments

#2446 - add wflow_tools.job_patterns.unpartition

Pull Request - State: closed - Opened by zulissimeta 3 months ago - 3 comments

#2445 - Bump maggma from 0.69.2 to 0.69.3

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2444 - Bump prefect[dask] from 2.20.2 to 2.20.3

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2443 - Bump typer from 0.12.4 to 0.12.5

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2442 - Bump dask-jobqueue from 0.8.5 to 0.9.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2441 - Bump phonopy from 2.26.7 to 2.27.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 1 comment
Labels: dependencies, python

#2440 - Bump atomate2 from 0.0.14 to 0.0.15

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2439 - Bump parsl[monitoring] from 2024.8.12 to 2024.8.19

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2438 - Use proper syntax for getting calculator properties

Pull Request - State: closed - Opened by Andrew-S-Rosen 3 months ago

#2437 - Long import times

Issue - State: open - Opened by Andrew-S-Rosen 3 months ago
Labels: enhancement, good-first-issue, help wanted

#2436 - Add a setting to store the logger file to disk

Pull Request - State: closed - Opened by Andrew-S-Rosen 3 months ago - 1 comment

#2435 - Bump numpy from 1.26.4 to 2.1.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2434 - Rmtree for nfs

Pull Request - State: open - Opened by zulissimeta 3 months ago - 6 comments

#2433 - Bump typer from 0.12.3 to 0.12.4

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2432 - Bump shakenbreak from 3.3.5 to 3.3.6

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 2 comments
Labels: dependencies, python

#2429 - Add support for more foundation models

Issue - State: open - Opened by Andrew-S-Rosen 3 months ago
Labels: enhancement, good-first-issue

#2427 - Bump parsl[monitoring] from 2024.8.5 to 2024.8.12

Pull Request - State: open - Opened by dependabot[bot] 3 months ago - 1 comment
Labels: dependencies, python

#2426 - Bump prefect[dask] from 2.20.1 to 2.20.2

Pull Request - State: open - Opened by dependabot[bot] 3 months ago - 1 comment
Labels: dependencies, python

#2425 - Clean up sets

Pull Request - State: closed - Opened by Andrew-S-Rosen 3 months ago

#2424 - Vasp preset cleanup

Pull Request - State: closed - Opened by Andrew-S-Rosen 3 months ago

#2423 - Update hpc_tests.sh

Pull Request - State: open - Opened by Andrew-S-Rosen 3 months ago

#2422 - PARSL_MPI_PREFIX moved to the espresso calculator

Pull Request - State: closed - Opened by tomdemeyere 3 months ago - 3 comments

#2421 - do not merge

Pull Request - State: closed - Opened by Andrew-S-Rosen 4 months ago