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veloxchem: fix build
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markuskowa committed Feb 13, 2023
1 parent b9e69e7 commit e6081c3
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pkgs/apps/veloxchem/default.nix
Original file line number Diff line number Diff line change
Expand Up @@ -52,13 +52,13 @@ buildPythonPackage rec {
];

checkInputs = [
openssh # needed for openmpi
pytest
];

checkPhase = ''
export OMP_NUM_THREADS=1
export OMPI_MCA_rmaps_base_oversubscribe=1
export OMPI_MCA_plm_rsh_agent=${lib.getBin openssh}/bin/ssh
export MV2_ENABLE_AFFINITY=0
# Fix to make mpich run in a sandbox
export HYDRA_IFACE=lo
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