This is an fully Free Software solvation model, based on the original
conductor like screening model for realistic solvation (COSMO-RS)
model by Klamt et al. in combination with the universal solvation
model based on solute electron density (SMD): by Marenich, Cramer and
Truhlar.
Details
Details
For every {amd64} × {14.3, 13.5}:
- Successful poudriere testport
- Successful run-testing
Diff Detail
Diff Detail
- Repository
- R11 FreeBSD ports repository
- Lint
Lint Not Applicable - Unit
Tests Not Applicable
Event Timeline
| science/cpcmx/Makefile | ||
|---|---|---|
| 19 | Just define TEST_TARGET as that's the only thing that's missing. | |
| 21 | Use upstream release archive, https://github.com/grimme-lab/CPCM-X/releases/download/v1.1.0/cpx-1.1.0.tar.xz | |
| science/cpcmx/files/patch-CMakeLists.txt | ||
|---|---|---|
| 8 | This should be submitted upstream | |
| science/cpcmx/files/patch-CMakeLists.txt | ||
|---|---|---|
| 8 | Sorry, I have no GH account. | |