devices.wlin: fix env

This commit is contained in:
2026-01-05 11:45:21 +08:00
parent 085fde23ba
commit d8b96a32e8
4 changed files with 10 additions and 14 deletions

View File

@@ -17,7 +17,7 @@ let
paths = with pkgs; paths = with pkgs;
[ [
gnuplot localPackages.vaspkit pv python localPackages.vasp.intel chn-bsub hwloc gnuplot localPackages.vaspkit pv python localPackages.vasp.intel chn-bsub hwloc
lsd prrte.dev lsd glibc glibc.bin
]; ];
postBuild = "echo ${inputs.self.rev or "dirty"} > $out/.version"; postBuild = "echo ${inputs.self.rev or "dirty"} > $out/.version";
passthru = { inherit pkgs chn-bsub; archive = pkgs.closureInfo { rootPaths = [ wlin.drvPath ]; }; }; passthru = { inherit pkgs chn-bsub; archive = pkgs.closureInfo { rootPaths = [ wlin.drvPath ]; }; };

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@@ -1,10 +1,3 @@
# .bash_profile
# Get the aliases and functions
if [ -f ~/.bashrc ]; then if [ -f ~/.bashrc ]; then
. ~/.bashrc . ~/.bashrc
fi fi
# User specific environment and startup programs
export PATH=/data/gpfs01/wlin/.nix/state/gcroots/current/bin:$HOME/bin:$PATH
ulimit -s unlimited

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@@ -1,7 +1,10 @@
# .bashrc
# Source global definitions
if [ -f /etc/bashrc ]; then if [ -f /etc/bashrc ]; then
. /etc/bashrc . /etc/bashrc
fi fi
export HISTFILESIZE=1000000
if [ -z "${BASHRC_SOURCED-}" ]; then
export PATH=$HOME/.nix/state/gcroots/current/bin:$HOME/bin:$PATH
ulimit -s unlimited
export HISTFILESIZE=1000000
export BASHRC_SOURCED=1
fi

View File

@@ -1,4 +1,4 @@
{ stdenv, src, writeShellScriptBin, lib, rsync, which, wannier90, hdf5, mpi, mkl }: { stdenv, src, writeShellScriptBin, lib, rsync, which, wannier90, hdf5, mpi, mkl, prrte }:
let let
vasp = stdenv.mkDerivation vasp = stdenv.mkDerivation
{ {
@@ -26,7 +26,7 @@ let
}; };
wrapper = writeShellScriptBin "vasp-intel" wrapper = writeShellScriptBin "vasp-intel"
'' ''
export PATH=${vasp}/bin:${mpi}/bin''${PATH:+:$PATH} export PATH=${vasp}/bin:${mpi}/bin:${mpi.dev}/bin:${prrte}/bin:${prrte.dev}/bin''${PATH:+:$PATH}
# set OMP_NUM_THREADS if SLURM_CPUS_PER_TASK is set # set OMP_NUM_THREADS if SLURM_CPUS_PER_TASK is set
if [ -z "$OMP_NUM_THREADS" ] && [ -n "$SLURM_CPUS_PER_TASK" ]; then if [ -z "$OMP_NUM_THREADS" ] && [ -n "$SLURM_CPUS_PER_TASK" ]; then