Merge pull request #216 from votca/junghans-patch-2 #618

Job	Run time
CI (fedora, gmxpkg)	6m 57s
CI (fedora, rawhide, TAG=rawhide,PYTHON=python3.13, true)	5m 5s
CI (ubuntu, latest)	5m 12s
CI (ubuntu, intel, TAG=22.04,INTEL=yes, true)	10m 20s
CI (ubuntu, rolling, TAG=rolling)	4m 41s
CI (ubuntu, devel, TAG=devel, true)	4m 40s
CI (opensuse, latest, true)	4m 37s
CI (fedora, latest, GMX_BRANCH=release-2019,GMX_DOUBLE=ON)	10m 30s
CI (fedora, gmx2019, GMX_BRANCH=release-2019)	13m 41s
CI (fedora, gmx2024_d, GMX_BRANCH=release-2024,GMX_DOUBLE=ON)	15m 2s
CI (fedora, gmx2024, GMX_BRANCH=release-2024)	13m 47s
CI (fedora, gmx9999_d, GMX_BRANCH=main,GMX_DOUBLE=ON, true)	13m 56s
CI (fedora, gmx9999, GMX_BRANCH=main, true)	13m 56s
CI (fedora, nogmx, GMX_BRANCH=none)	5m 43s
CI (fedora, intel, TAG=38,INTEL=yes,PYTHON=python3.11, true)	31m 57s
CI (actions, latest)	54s
CI (format, latest)	1m 41s
	2h 42m 39s

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