Merge pull request #198 from votca/junghans-patch-1 #530

Job	Run time
CI (fedora, gmxpkg)	38m 57s
CI (fedora, rawhide, TAG=rawhide,PYTHON=python3.11, true)	3m 29s
CI (ubuntu, latest)	4m 42s
CI (ubuntu, rolling, TAG=rolling)	4m 47s
CI (ubuntu, devel, TAG=devel, true)	5m 52s
CI (opensuse, latest, true)	4m 24s
CI (fedora, latest, GMX_BRANCH=release-2019,GMX_DOUBLE=ON)	45m 34s
CI (fedora, gmx2019, GMX_BRANCH=release-2019)	42m 8s
CI (fedora, gmx2022_d, GMX_BRANCH=release-2022,GMX_DOUBLE=ON)	45m 4s
CI (fedora, gmx2022, GMX_BRANCH=release-2022)	47m 56s
CI (fedora, gmx2023_d, GMX_BRANCH=release-2023,GMX_DOUBLE=ON)	1h 6m 35s
CI (fedora, gmx2023, GMX_BRANCH=release-2023)	50m 2s
CI (fedora, gmx9999_d, GMX_BRANCH=main,GMX_DOUBLE=ON, true)	48m 40s
CI (fedora, gmx9999, GMX_BRANCH=main, true)	48m 0s
CI (fedora, nogmx, GMX_BRANCH=none)	39m 3s
CI (fedora, intel, TAG=37,INTEL=yes, true)	53m 47s
CI (actions, latest)	2m 5s
CI (format, latest)	1m 47s
	9h 12m 52s

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