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packages.vasp.intel: fix

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陈浩南 2024-09-22 17:46:11 +08:00
parent 575943c869
commit 4600e2e3f1
1 changed files with 1 additions and 1 deletions
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packages/vasp/intel/default.nix
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@ -42,7 +42,7 @@ in writeShellScriptBin "vasp-intel"
export LD_LIBRARY_PATH=${libfabric}/lib''${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH}
# intel mpi need this to talk with slurm
${lib.optionalString integratedWithSlurm "export I_MPI_MPI_LIBRARY=${slurm}/lib/libpmi2.so"}
${lib.optionalString integratedWithSlurm "export I_MPI_PMI_LIBRARY=${slurm}/lib/libpmi2.so"}
# add vasp and intel mpi in PATH
export PATH=${vasp}/bin:${mpi}/bin''${PATH:+:$PATH}