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devices.wlin: fix env
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@@ -17,7 +17,7 @@ let
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paths = with pkgs;
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[
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gnuplot localPackages.vaspkit pv python localPackages.vasp.intel chn-bsub hwloc
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lsd prrte.dev
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lsd glibc glibc.bin
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];
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postBuild = "echo ${inputs.self.rev or "dirty"} > $out/.version";
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passthru = { inherit pkgs chn-bsub; archive = pkgs.closureInfo { rootPaths = [ wlin.drvPath ]; }; };
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@@ -1,10 +1,3 @@
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# .bash_profile
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# Get the aliases and functions
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if [ -f ~/.bashrc ]; then
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. ~/.bashrc
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fi
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# User specific environment and startup programs
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export PATH=/data/gpfs01/wlin/.nix/state/gcroots/current/bin:$HOME/bin:$PATH
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ulimit -s unlimited
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@@ -1,7 +1,10 @@
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# .bashrc
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# Source global definitions
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if [ -f /etc/bashrc ]; then
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. /etc/bashrc
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fi
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export HISTFILESIZE=1000000
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if [ -z "${BASHRC_SOURCED-}" ]; then
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export PATH=$HOME/.nix/state/gcroots/current/bin:$HOME/bin:$PATH
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ulimit -s unlimited
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export HISTFILESIZE=1000000
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export BASHRC_SOURCED=1
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fi
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@@ -1,4 +1,4 @@
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{ stdenv, src, writeShellScriptBin, lib, rsync, which, wannier90, hdf5, mpi, mkl }:
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{ stdenv, src, writeShellScriptBin, lib, rsync, which, wannier90, hdf5, mpi, mkl, prrte }:
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let
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vasp = stdenv.mkDerivation
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{
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@@ -26,7 +26,7 @@ let
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};
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wrapper = writeShellScriptBin "vasp-intel"
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''
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export PATH=${vasp}/bin:${mpi}/bin''${PATH:+:$PATH}
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export PATH=${vasp}/bin:${mpi}/bin:${mpi.dev}/bin:${prrte}/bin:${prrte.dev}/bin''${PATH:+:$PATH}
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# set OMP_NUM_THREADS if SLURM_CPUS_PER_TASK is set
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if [ -z "$OMP_NUM_THREADS" ] && [ -n "$SLURM_CPUS_PER_TASK" ]; then
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