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sharc: 3.0.2 -> 4.0.2#778

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sheepforce wants to merge 2 commits intomasterfrom
sharc4
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sharc: 3.0.2 -> 4.0.2#778
sheepforce wants to merge 2 commits intomasterfrom
sharc4

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Updates SHARC to its latest version. The python programs require much more python packages now, including OpenMM, PySCF and torch, making it a quite heavy closure. But whatever ... 😄 HDF4 and NetCDF4 are also of course still included.

The executables all seem to run, but I have not idea about SHARC, so @markuskowa could you test this? 😇

@sheepforce sheepforce requested a review from markuskowa December 2, 2025 18:40
@sheepforce sheepforce marked this pull request as draft December 3, 2025 09:16
@sheepforce sheepforce changed the title WiP: sharc: 3.0.2 -> 4.0.2 sharc: 3.0.2 -> 4.0.2 Feb 17, 2026
@sheepforce sheepforce marked this pull request as ready for review February 17, 2026 09:56
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