alexxy@gentoo.org Alexey Shvetsov sci-chemistry@gentoo.org Gentoo Chemistry Project Enable cuda non-bonded kernels More precise calculations at the expense of speed Add support for gmxapi library Enable HWLoc lib support Use external sci-libs/lmfit Enable opencl non-bonded kernels Single precision version of gromacs (default) Enable new trajectory format - tng Use sci-libs/mkl for fft, blas, lapack routines Enable gromacs partly offensive quotes