Merge pull request #218 from votca/junghans-patch-2 #638

Job	Run time
CI (fedora, gmxpkg)	5m 31s
CI (fedora, rawhide, TAG=rawhide,PYTHON=python3.13, true)	6m 30s
CI (ubuntu, latest)	5m 27s
CI (ubuntu, intel, TAG=22.04,INTEL=yes, true)	9m 52s
CI (ubuntu, rolling, TAG=rolling)	5m 58s
CI (ubuntu, devel, TAG=devel, true)	5m 50s
CI (opensuse, latest, true)	4m 42s
CI (fedora, latest, GMX_BRANCH=release-2019,GMX_DOUBLE=ON)	11m 36s
CI (fedora, gmx2019, GMX_BRANCH=release-2019)	11m 38s
CI (fedora, gmx2024_d, GMX_BRANCH=release-2024,GMX_DOUBLE=ON)	14m 24s
CI (fedora, gmx2024, GMX_BRANCH=release-2024)	15m 14s
CI (fedora, gmx9999_d, GMX_BRANCH=main,GMX_DOUBLE=ON, true)	14m 43s
CI (fedora, gmx9999, GMX_BRANCH=main, true)	14m 44s
CI (fedora, nogmx, GMX_BRANCH=none)	5m 52s
CI (fedora, intel, TAG=38,INTEL=yes,PYTHON=python3.11, true)	31m 53s
CI (actions, latest)	31s
CI (format, latest)	1m 19s
	2h 45m 44s

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