Merge pull request #205 from votca/junghans-patch-1 #581

Job	Run time
CI (fedora, gmxpkg)	28m 31s
CI (fedora, rawhide, TAG=rawhide,PYTHON=python3.12, true)	6m 31s
CI (ubuntu, latest)	5m 7s
CI (ubuntu, intel, TAG=22.04,INTEL=yes, true)	10m 18s
CI (ubuntu, rolling, TAG=rolling)	4m 34s
CI (ubuntu, devel, TAG=devel, true)	5m 56s
CI (opensuse, latest, true)	3m 39s
CI (fedora, latest, GMX_BRANCH=release-2019,GMX_DOUBLE=ON)	30m 32s
CI (fedora, gmx2019, GMX_BRANCH=release-2019)	31m 26s
CI (fedora, gmx2024_d, GMX_BRANCH=release-2024,GMX_DOUBLE=ON)	35m 54s
CI (fedora, gmx2024, GMX_BRANCH=release-2024)	37m 26s
CI (fedora, gmx9999_d, GMX_BRANCH=main,GMX_DOUBLE=ON, true)	41m 47s
CI (fedora, gmx9999, GMX_BRANCH=main, true)	37m 12s
CI (fedora, nogmx, GMX_BRANCH=none)	28m 21s
CI (fedora, intel, TAG=38,INTEL=yes,PYTHON=python3.11, true)	38m 26s
CI (actions, latest)	59s
CI (format, latest)	1m 35s
	5h 48m 14s

Provide feedback