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2022-12-16openmm: ensure libcuda can be found at runtime, disable cuda tests in sandboxPhillip Seeber1-17/+31
2022-10-12openmm: init at 7.7.0Phillip Seeber1-0/+91
2022-10-04avogadrolibs: 1.95.1 -> 1.97.0, disable mmtf-cppPhillip Seeber1-2/+2
2022-09-07libvdwxc: init at 24.02.2020Phillip Seeber1-0/+52
2022-07-25xcfun: enable on darwinSebastián Mancilla1-1/+1
2021-11-29cppe: fix build with clangRobert Scott1-2/+3
2021-11-22cppe: init at 0.3.1Phillip Seeber1-0/+25
2021-11-22libxc: force 3rd and 4th derivatives compilationPhillip Seeber1-1/+1
2021-10-08libmsym: fixing homepagePhillip Seeber1-1/+1
2021-10-08avogadrolibs: 1.94.0 -> 1.95.1Phillip Seeber1-2/+2
2021-07-27avogadrolibs: init at 1.94.0Phillip Seeber1-0/+68
2021-07-27molequeue: init at 0.9.0Phillip Seeber1-0/+33
2021-07-27mmtf-cpp: init at 1.0.0Phillip Seeber1-0/+25
2021-07-27libmsym: init at 0.2.3Phillip Seeber1-0/+23
2021-06-21xcfun: init at 2.1.1Phillip1-0/+30