Releases: pyiron/pylammpsmpi
Releases · pyiron/pylammpsmpi
pylammpsmpi 0.2.26
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #247
- Remove conda default channel by @jan-janssen in #248
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #249
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #251
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #252
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #253
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #254
- Bump executorlib from 0.0.2 to 0.0.3 by @dependabot in #255
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #257
- Update mpich to 4.2.3 by @jan-janssen in #259
- Bump mpi4py from 4.0.0 to 4.0.1 by @dependabot in #258
- Bump executorlib from 0.0.3 to 0.0.4 by @dependabot in #260
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #261
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #262
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #265
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #266
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #267
- Get ready for the next version of executorlib by @jan-janssen in #263
Full Changelog: pylammpsmpi-0.2.25...pylammpsmpi-0.2.26
pylammpsmpi 0.2.25
What's Changed
- Bump executorlib from 0.0.1 to 0.0.2 by @dependabot in #246
Full Changelog: pylammpsmpi-0.2.24...pylammpsmpi-0.2.25
pylammpsmpi-0.2.24
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #233
- Revert to mpi4py 3.1.6 by @jan-janssen in #235
- Add executor test by @jan-janssen in #237
- Bump mpi4py from 3.1.6 to 4.0.0 by @dependabot in #236
- Use Github Co-pilot to add docstrings and type hints by @jan-janssen in #240
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #241
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #242
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #244
- Bump scipy from 1.14.0 to 1.14.1 by @dependabot in #245
Full Changelog: pylammpsmpi-0.2.23...pylammpsmpi-0.2.24
pylammpsmpi-0.2.23
What's Changed
- Update LAMMPS to 2024.06.27 by @jan-janssen in #231
- Bump mpi4py from 3.1.6 to 4.0.0 by @dependabot in #232
Full Changelog: pylammpsmpi-0.2.22...pylammpsmpi-0.2.23
pylammpsmpi 0.2.22
What's Changed
- Remove structure set by @jan-janssen in #227
- Add more tests by @jan-janssen in #228
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #229
- Remove UnfoldPrism by @jan-janssen in #230
Full Changelog: pylammpsmpi-0.2.21...pylammpsmpi-0.2.22
pylammpsmpi 0.2.21
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #220
- Add import sorting to ruff by @jan-janssen in #221
- Update conda-incubator/setup-miniconda from v2 to v3 by @jan-janssen in #222
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #223
- Bump pympipool from 0.8.5 to 0.9.1 by @dependabot in #224
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #225
Full Changelog: pylammpsmpi-0.2.20...pylammpsmpi-0.2.21
pylammpsmpi 0.2.20
What's Changed
- Update ASE to 3.23.0 by @jan-janssen in #210
- Fix CI for stacked pull requests by @jan-janssen in #211
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #212
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #213
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #215
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #216
- Bump pympipool from 0.8.4 to 0.8.5 by @dependabot in #219
- Bump scipy from 1.13.1 to 1.14.0 by @dependabot in #217
Full Changelog: pylammpsmpi-0.2.19...pylammpsmpi-0.2.20
pylammpsmpi-0.2.19
What's Changed
- Fix coverage by @jan-janssen in #192
- Create CODEOWNERS by @jan-janssen in #193
- Bump pympipool from 0.8.0 to 0.8.1 by @dependabot in #194
- Add ASE test by @jan-janssen in #195
- Add timeout to coverage by @jan-janssen in #196
- Test ASE triclinic cell by @jan-janssen in #197
- More tests by @jan-janssen in #199
- Add two more tests for LAMMPS base by @jan-janssen in #200
- Bump pympipool from 0.8.1 to 0.8.2 by @dependabot in #202
- Add ruff formatter by @jan-janssen in #205
- Bump pympipool from 0.8.2 to 0.8.3 by @dependabot in #206
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #208
- Bump pympipool from 0.8.3 to 0.8.4 by @dependabot in #209
- Bump scipy from 1.13.0 to 1.13.1 by @dependabot in #207
New Contributors
- @pre-commit-ci made their first contribution in #208
Full Changelog: pylammpsmpi-0.2.18...pylammpsmpi-0.2.19
pylammpsmpi 0.2.18
What's Changed
- Update pympipool to 0.8.0 by @jan-janssen in #191
Full Changelog: pylammpsmpi-0.2.17...pylammpsmpi-0.2.18
pylammpsmpi 0.2.17
What's Changed
- Use Python 3.12 as default for Continuous Integration by @jan-janssen in #187
- Set upper limit for Python version by @jan-janssen in #189
- Bump pympipool from 0.7.17 to 0.7.18 by @dependabot in #190
- Bump mpi4py from 3.1.5 to 3.1.6 by @dependabot in #188
Full Changelog: pylammpsmpi-0.2.16...pylammpsmpi-0.2.17