What's Changed
- Workaround plotly / kaleido static figure generation by @VGPReys in #1086
- Remove
self.params["debug"]
logic incaprieval
by @rvhonorato in #1088 - numpy upgrade by @mgiulini in #1091
- Bump mpi4py from 4.0.0 to 4.0.1 by @dependabot in #1093
- Bump hypothesis from 6.112.2 to 6.115.0 by @dependabot in #1094
- Bump pytest-cov from 4.0.0 to 5.0.0 by @dependabot in #1097
- Bump fastapi from 0.115.0 to 0.115.2 by @dependabot in #1095
- Bump httpx from 0.27.0 to 0.27.2 by @dependabot in #1096
- Fix z restraints examples by @VGPReys in #1101
- Remove dead
cli_bm
by @rvhonorato in #1102 - sasascore module by @mgiulini in #862
- Remove adaptative sleep logic in libhpc by @rvhonorato in #1103
- Bump coverage from 7.6.1 to 7.6.4 by @dependabot in #1110
- Bump hypothesis from 6.115.0 to 6.115.3 by @dependabot in #1111
- Bump fastapi from 0.115.2 to 0.115.4 by @dependabot in #1118
- Bump hypothesis from 6.115.3 to 6.115.5 by @dependabot in #1117
- Correct auto documentation by @mgiulini in #1109
- Fix tests by @mgiulini in #1123
- Solves issue #1119 related to MPI execution with mpirun or run by @amjjbonvin in #1127
- fix random error by @mgiulini in #1129
- Bump hypothesis from 6.115.5 to 6.116.0 by @dependabot in #1130
- Bump pytest-cov from 5.0.0 to 6.0.0 by @dependabot in #1131
- Analysis not capri by @mgiulini in #1120
- Bump hypothesis from 6.116.0 to 6.118.7 by @dependabot in #1137
- fixed analysis on cleaned, downloaded runs by @mgiulini in #1124
- caught CNS exception in scoring modules by @mgiulini in #1138
- Per interface scoring for dimers by @mgiulini in #1143
- Reducing number of steps in openmm examples by @VGPReys in #1142
- Bump hypothesis from 6.118.7 to 6.119.3 by @dependabot in #1151
- Bump coverage from 7.6.4 to 7.6.7 by @dependabot in #1148
- Bump fastapi from 0.115.4 to 0.115.5 by @dependabot in #1150
- add new glycans by @mgiulini in #1134
- Update README.md by @amjjbonvin in #1146
- Bump kaleido from 0.2.1 to 0.4.1 by @dependabot in #1149
- Create validate_citation.yml by @mgiulini in #1156
- adding bioexcel forum by @VGPReys in #1161
Full Changelog: 2024.10.0b6...2024.12.0b7