v2.0.8
What's Changed
- Expand CI for matrix based testing by @jimboid in https://github.com/PSDI-UK/aiida-gromacs/pull/124
- migrate repository to PSDI-UK by @jimboid in https://github.com/PSDI-UK/aiida-gromacs/pull/128
- 126 search previous processes by @jkalayan in https://github.com/PSDI-UK/aiida-gromacs/pull/129
- added command node to all gmx_ calculations and added function to pri… by @jkalayan in https://github.com/PSDI-UK/aiida-gromacs/pull/132
- 134 no trr file returned by @jkalayan in https://github.com/PSDI-UK/aiida-gromacs/pull/135
- 137 gmx genion uses hard coded solvent by @jkalayan in https://github.com/PSDI-UK/aiida-gromacs/pull/138
- changed RTD theme to furo by @jkalayan in https://github.com/PSDI-UK/aiida-gromacs/pull/141
- Changes to CI action for autoupdating version numbers by @jimboid in https://github.com/PSDI-UK/aiida-gromacs/pull/143
- removed print_provenance and replaced with: verdi data provance show by @jkalayan in https://github.com/PSDI-UK/aiida-gromacs/pull/144
- attempt to fix CI failure and alter the CI general flow for releasing… by @jimboid in https://github.com/PSDI-UK/aiida-gromacs/pull/145
Full Changelog: PSDI-UK/aiida-gromacs@v2.0.7...v2.0.8