Ecosyste.ms: Issues

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GitHub / sponce24/aiida-abinit issues and pull requests

#25 - Devops: Address deprecation warnings of `aiida-core`

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

#24 - Dependencies: Add support for Python 3.11

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

#23 - fix aiida-core dependency

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

#22 - Dependencies: Add support for `aiida-core~=2.0`

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

#21 - DevOps: Remove `conftest.py` in root directory

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

#20 - Dependencies: Add support for Python 3.10

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

#19 - DevOps: Add a continuous deployment workflow

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

#18 - DevOps: adopt PEP 621 and move build spec to `pyproject.toml`

Pull Request - State: closed - Opened by sphuber almost 2 years ago - 1 comment

#17 - Dependencies: remove upper version limit for `pymatgen`

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

#16 - kpoints input validation bugfix

Pull Request - State: open - Opened by azadoks about 2 years ago

#15 - AiiDA v2 compatibility?

Issue - State: closed - Opened by ahkole about 2 years ago - 2 comments

#14 - Support for aiida-core v2.0

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

#13 - Please release v0.2.0 proper

Issue - State: closed - Opened by chrisjsewell over 2 years ago - 6 comments

#12 - Minor tweaks for ACWF

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

#11 - development status now parsed from `setup.json`

Issue - State: closed - Opened by ltalirz almost 3 years ago

#10 - Add pymatgen version requirement

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

#9 - Review and improve install requirements

Issue - State: closed - Opened by azadoks about 3 years ago

#8 - Parse output from the repository

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

#7 - Support explicit k-points

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

#6 - Implement protocols in `aiida-abinit`

Issue - State: open - Opened by azadoks over 3 years ago
Labels: enhancement

#5 - Refactor AbinitCalculation, improve IO

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

#4 - Add development tools

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

#3 - Remove leftover code from cookiecutter template

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

#2 - Upgrade to `aiida-pseudo==0.6.0`

Issue - State: closed - Opened by sphuber over 3 years ago - 2 comments

#1 - some updates to calculations and parsers

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