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add instructions for running 2-water QMMM PySCF problem

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Steve Plimpton
2023-01-31 07:43:20 -07:00
parent 3b2647917f
commit e7bcdc63e5
3 changed files with 26 additions and 15 deletions
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lib/mdi/Install.py
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@ -32,7 +32,7 @@ make lib-mdi args="-m mpi" # build MDI lib with same settings as in the mpi Make
# settings
version = "1.4.12"
version = "1.4.14"
url = "https://github.com/MolSSI-MDI/MDI_Library/archive/v%s.tar.gz" % version
# known checksums for different MDI versions. used to validate the download.