Ecosyste.ms: Issues

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

GitHub / aiida-vasp/aiida-vasp issues and pull requests

#735 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 months ago - 1 comment

#734 - ⬆️ Update pylint requirement from <3.3,>=2.15 to >=2.15,<3.4

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

#733 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 2 months ago - 1 comment

#732 - Update [pre-commit] section in pyproject.toml

Pull Request - State: closed - Opened by atztogo 2 months ago - 8 comments

#731 - Remove nightly.yml

Pull Request - State: closed - Opened by atztogo 2 months ago - 1 comment

#730 - ⬆️ Update sphinx-lint requirement from ~=0.6 to >=0.6,<2.0

Pull Request - State: closed - Opened by dependabot[bot] 2 months ago - 1 comment
Labels: dependencies, python

#729 - Future update to the documentation and tests

Pull Request - State: open - Opened by zhubonan 2 months ago - 1 comment

#728 - Possible issue with POTCARs

Issue - State: closed - Opened by nkeilbart 2 months ago - 2 comments

#727 - Reorganize documentation and other enhancements

Pull Request - State: closed - Opened by zhubonan 3 months ago - 2 comments

#726 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 1 comment

#725 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 1 comment

#724 - Apply ruff v0.6.1

Pull Request - State: closed - Opened by atztogo 3 months ago - 1 comment

#723 - Overhaul for the parser module

Pull Request - State: closed - Opened by zhubonan 3 months ago - 10 comments

#722 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 1 comment

#721 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 1 comment

#720 - Improve the BuilderUpdater tool

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

#719 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago - 1 comment

#718 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago - 1 comment

#717 - Move tests under aiida-vasp/tests directory

Pull Request - State: closed - Opened by atztogo 4 months ago - 4 comments

#716 - Migrate from aiida.manage.tests.pytest_fixtures to aiida.tools.pytest_fixtures

Pull Request - State: closed - Opened by atztogo 4 months ago - 2 comments

#715 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#714 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#713 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#712 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago

#711 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago - 1 comment

#710 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago - 1 comment

#709 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago - 1 comment

#708 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 6 months ago - 1 comment

#707 - ⬆️ Update pylint requirement from ~=2.15.0 to >=2.15,<3.3

Pull Request - State: closed - Opened by dependabot[bot] 6 months ago - 1 comment
Labels: dependencies, python

#706 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 6 months ago - 1 comment

#705 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 7 months ago - 2 comments

#704 - Switching code formater and linter to ruff

Pull Request - State: closed - Opened by zhubonan 7 months ago - 2 comments

#703 - Remove verbose input and use verbosity levels from the logs

Issue - State: open - Opened by JPchico 7 months ago
Labels: code quality

#702 - 701 refatcor the GitHub workflows to make them more maintenable

Pull Request - State: closed - Opened by JPchico 7 months ago - 1 comment
Labels: github_actions

#701 - Refactor the github workflows to make them more maintainable

Issue - State: closed - Opened by JPchico 7 months ago - 1 comment
Labels: github_actions

#700 - Centralize the tests into a test directory

Issue - State: open - Opened by JPchico 7 months ago
Labels: code quality

#699 - Fixing issues with the coverage token resulting from the upgrade to action v4

Pull Request - State: closed - Opened by JPchico 7 months ago - 1 comment
Labels: github_actions

#698 - Modify the CI/CD to add the codecov token via the secrets

Issue - State: closed - Opened by JPchico 7 months ago - 1 comment
Labels: github_actions

#697 - Change formatter to black

Issue - State: closed - Opened by JPchico 7 months ago - 2 comments

#696 - Change linter to ruff+mypy

Issue - State: closed - Opened by JPchico 7 months ago - 4 comments

#695 - ⬆️ Update pre-commit requirement from ~=2.2 to >=2.2,<4.0

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, python

#694 - ⬆️ Update pylint requirement from ~=2.15.0 to >=2.15,<3.2

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago - 3 comments
Labels: dependencies, python

#693 - ⬆️ Bump actions/setup-python from 4 to 5

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, github_actions

#692 - ⬆️ Bump actions/upload-artifact from 2 to 4

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, github_actions

#691 - ⬆️ Bump actions/cache from 3.2.6 to 4.0.2

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, github_actions

#690 - ⬆️ Bump codecov/codecov-action from 3 to 4

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, github_actions

#689 - ⬆️ Bump actions/checkout from 2 to 4

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, github_actions

#688 - Add dependabot configuration

Pull Request - State: closed - Opened by JPchico 7 months ago - 1 comment

#687 - Adding a src layer to the repository.

Pull Request - State: closed - Opened by JPchico 7 months ago - 3 comments

#686 - Add dependabot configuration

Issue - State: closed - Opened by JPchico 7 months ago
Labels: code quality

#685 - Add a src layer to the repository

Issue - State: closed - Opened by JPchico 7 months ago
Labels: code quality

#684 - Add EFG parser

Issue - State: open - Opened by mp-cms 8 months ago - 1 comment

#683 - Citation for aiida-vasp

Issue - State: open - Opened by martin-schlipf 8 months ago - 1 comment

#682 - Can I keep the remote folder after successful calculation

Issue - State: closed - Opened by AmberLEE123456 9 months ago - 2 comments

#681 - Disable pylint warnings for `aiida-core>=2.5.0`

Pull Request - State: closed - Opened by sphuber 11 months ago - 1 comment

#680 - Devops: Add continuous deployment to CI workflow

Pull Request - State: closed - Opened by sphuber 11 months ago - 1 comment

#679 - Porting fixes for ACWF v1.0 to the `develop` branch

Pull Request - State: closed - Opened by sphuber 11 months ago - 2 comments

#678 - `WAVEDER` file is not copied to a restart calculation

Issue - State: open - Opened by hujay2019 about 1 year ago - 1 comment
Labels: feature

#677 - How to take over WAVECAR or CHGCAR

Issue - State: open - Opened by Kaikennokuro about 1 year ago - 1 comment

#676 - I can't see outputs.relax.structure

Issue - State: open - Opened by Kaikennokuro about 1 year ago - 4 comments

#675 - Drop py3.8 nightly github workflow

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

#674 - Update nightly.yml

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

#673 - Concatenation of k-points for bands calculation with hybrid functional

Issue - State: closed - Opened by sylviancadars over 1 year ago - 5 comments

#672 - Dropping threshold for codecov after release

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

#671 - Merge v3.0.1 into develop

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

#670 - Release v3.0.1

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

#669 - Updated RTD to use more recent Python version

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

#668 - Merge v3.0.0 into develop

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

#667 - Release/v3.0.0

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

#666 - Release/v3.0.0

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

#665 - Removed pymatgen calls from POTCAR parser

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

#663 - Moved remaining configs to toml

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

#662 - Updated README and docs with references

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

#661 - Updated aiida core dependency

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

#660 - Updated authors and prepped coverage to take large bulk of update

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

#659 - Revert "Release/v3.0.0"

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

#658 - Release/v3.0.0

Pull Request - State: closed - Opened by espenfl over 1 year ago - 4 comments

#657 - Fix extraction from README in support doc

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

#656 - Added support file

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

#655 - Dropped Python version for RTD

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

#654 - Added Matrix link and support section in docs

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

#653 - Updated license and author file

Pull Request - State: closed - Opened by espenfl over 1 year ago - 4 comments

#652 - Updated README

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

#651 - How do I describe LDAUL, etc. in INCAR?

Issue - State: closed - Opened by Kaikennokuro over 1 year ago

#650 - How do we use what is equal to CONTCAR?

Issue - State: closed - Opened by Kaikennokuro over 1 year ago - 9 comments

#648 - INCAR is not freely configurable.

Issue - State: closed - Opened by Kaikennokuro over 1 year ago - 2 comments

#647 - Added Python 3.11

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

#646 - Minor doc improvements

Pull Request - State: closed - Opened by JPchico over 1 year ago - 2 comments
Labels: documentation

#645 - Update dependencies

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

#644 - AiiDA cannot load aiida-vasp

Issue - State: closed - Opened by nkeilbart over 1 year ago - 7 comments

#643 - Update fcc_si_step3.rst

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

#641 - How can I set "def get_structure_SiC()" ?

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

#640 - Updated contact information of project

Pull Request - State: closed - Opened by espenfl over 1 year ago - 3 comments

#638 - Tutorial 3. Equilibrium volume of FCC Si, take 2

Issue - State: closed - Opened by Kaikennokuro over 1 year ago - 2 comments

#636 - Passwordless access to computer failing

Issue - State: closed - Opened by BenDeVries856 over 1 year ago - 1 comment

#634 - Fix remaining documentation updates

Issue - State: open - Opened by espenfl over 1 year ago

#633 - Removing the local restart workchain. Fixes #630

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