From 4de795bd59cdefb5840f889d3e133e7b9894fee5 Mon Sep 17 00:00:00 2001 From: chn Date: Wed, 3 Apr 2024 11:42:21 +0800 Subject: [PATCH] localPackages.vasp: remove additionalCommands --- .clangd | 2 +- .gitignore | 3 +++ local/pkgs/default.nix | 14 +++++--------- local/pkgs/vasp/amd/default.nix | 5 +---- local/pkgs/vasp/gnu-mkl/default.nix | 5 +---- local/pkgs/vasp/gnu/default.nix | 5 +---- local/pkgs/vasp/intel/default.nix | 4 +--- local/pkgs/vasp/nvidia/default.nix | 4 +--- 8 files changed, 14 insertions(+), 28 deletions(-) diff --git a/.clangd b/.clangd index 527de5ae..63fe9bab 100644 --- a/.clangd +++ b/.clangd @@ -1,3 +1,3 @@ CompileFlags: - Add: [ -Wall, -Wextra, -std=c++23 ] + Add: [ -Wall, -Wextra, -std=c++20, -I./local/pkgs/biu/include ] Compiler: gcc \ No newline at end of file diff --git a/.gitignore b/.gitignore index b6f97437..4daee5b1 100644 --- a/.gitignore +++ b/.gitignore @@ -2,3 +2,6 @@ result result-man outputs .direnv +.cache +.vscode +build diff --git a/local/pkgs/default.nix b/local/pkgs/default.nix index 926d6f29..11f42728 100644 --- a/local/pkgs/default.nix +++ b/local/pkgs/default.nix @@ -47,21 +47,19 @@ inputs: rec gnu = inputs.pkgs.callPackage ./vasp/gnu { inherit (inputs.pkgs.llvmPackages) openmp; - inherit wannier90 additionalCommands; + inherit wannier90; hdf5 = inputs.pkgs.hdf5.override { mpiSupport = true; fortranSupport = true; }; }; gnu-mkl = inputs.pkgs.callPackage ./vasp/gnu-mkl { inherit (inputs.pkgs.llvmPackages) openmp; - inherit wannier90 additionalCommands; + inherit wannier90; hdf5 = inputs.pkgs.hdf5.override { mpiSupport = true; fortranSupport = true; }; }; - nvidia = inputs.pkgs.callPackage ./vasp/nvidia - { inherit lmod nvhpc wannier90 additionalCommands; hdf5 = hdf5-nvhpc; }; - intel = inputs.pkgs.callPackage ./vasp/intel - { inherit lmod oneapi wannier90 additionalCommands; hdf5 = hdf5-oneapi; }; + nvidia = inputs.pkgs.callPackage ./vasp/nvidia { inherit lmod nvhpc wannier90; hdf5 = hdf5-nvhpc; }; + intel = inputs.pkgs.callPackage ./vasp/intel { inherit lmod oneapi wannier90; hdf5 = hdf5-oneapi; }; amd = inputs.pkgs.callPackage ./vasp/amd - { inherit aocc aocl wannier90 additionalCommands; hdf5 = hdf5-aocc; openmpi = openmpi-aocc; gcc = gcc-pie; }; + { inherit aocc aocl wannier90; hdf5 = hdf5-aocc; openmpi = openmpi-aocc; gcc = gcc-pie; }; wannier90 = inputs.pkgs.callPackage "${inputs.topInputs.nixpkgs-unstable}/pkgs/by-name/wa/wannier90/package.nix" {}; hdf5-nvhpc = inputs.pkgs.callPackage ./vasp/hdf5-nvhpc { inherit lmod nvhpc; inherit (inputs.pkgs.hdf5) src; }; @@ -71,8 +69,6 @@ inputs: rec openmpi-aocc = inputs.pkgs.callPackage ./vasp/openmpi-aocc { inherit aocc; gcc = gcc-pie; }; gcc-pie = inputs.pkgs.wrapCC (inputs.pkgs.gcc.cc.overrideAttrs (prev: { configureFlags = prev.configureFlags ++ [ "--enable-default-pie" ];})); - additionalCommands = let uid = inputs.config.nixos.user.uid.gb; in - ''[ "$(${inputs.pkgs.coreutils}/bin/id -u)" -eq ${builtins.toString uid} ] && exit 1''; }; oneapi = inputs.pkgs.callPackage ./oneapi {}; mumax = inputs.pkgs.callPackage ./mumax { src = inputs.topInputs.mumax; }; diff --git a/local/pkgs/vasp/amd/default.nix b/local/pkgs/vasp/amd/default.nix index 653f8c6e..63eff334 100644 --- a/local/pkgs/vasp/amd/default.nix +++ b/local/pkgs/vasp/amd/default.nix @@ -1,7 +1,6 @@ { buildFHSEnv, writeScript, stdenvNoCC, requireFile, substituteAll, - aocc, rsync, which, hdf5, wannier90, aocl, openmpi, gcc, zlib, glibc, binutils, libpsm2, - additionalCommands ? "" + aocc, rsync, which, hdf5, wannier90, aocl, openmpi, gcc, zlib, glibc, binutils, libpsm2 }: let sources = import ../source.nix { inherit requireFile; }; @@ -62,8 +61,6 @@ let fi export OMP_NUM_THREADS - ${additionalCommands} - exec "$@" ''; runEnv = version: buildFHSEnv diff --git a/local/pkgs/vasp/gnu-mkl/default.nix b/local/pkgs/vasp/gnu-mkl/default.nix index a94a82aa..74fd3ea2 100644 --- a/local/pkgs/vasp/gnu-mkl/default.nix +++ b/local/pkgs/vasp/gnu-mkl/default.nix @@ -1,7 +1,6 @@ { stdenvNoCC, requireFile, writeShellApplication, - rsync, mkl, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90, - additionalCommands ? "" + rsync, mkl, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90 }: let sources = import ../source.nix { inherit requireFile; }; @@ -49,8 +48,6 @@ let fi export OMP_NUM_THREADS - ${additionalCommands} - exec "$@" ''; }; diff --git a/local/pkgs/vasp/gnu/default.nix b/local/pkgs/vasp/gnu/default.nix index 938c2230..d92b86a4 100644 --- a/local/pkgs/vasp/gnu/default.nix +++ b/local/pkgs/vasp/gnu/default.nix @@ -1,7 +1,6 @@ { stdenvNoCC, requireFile, writeShellApplication, - rsync, blas, scalapack, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90, - additionalCommands ? "" + rsync, blas, scalapack, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90 }: let sources = import ../source.nix { inherit requireFile; }; @@ -48,8 +47,6 @@ let fi export OMP_NUM_THREADS - ${additionalCommands} - exec "$@" ''; }; diff --git a/local/pkgs/vasp/intel/default.nix b/local/pkgs/vasp/intel/default.nix index d21c6139..0239989e 100644 --- a/local/pkgs/vasp/intel/default.nix +++ b/local/pkgs/vasp/intel/default.nix @@ -1,6 +1,6 @@ { buildFHSEnv, writeScript, stdenvNoCC, requireFile, substituteAll, symlinkJoin, writeTextDir, - config, oneapiArch ? config.oneapiArch or "SSE3", additionalCommands ? "", + config, oneapiArch ? config.oneapiArch or "SSE3", oneapi, gcc, glibc, lmod, rsync, which, wannier90, binutils, hdf5, zlib }: let @@ -82,8 +82,6 @@ let # set OMP_STACKSIZE if not set export OMP_STACKSIZE=''${OMP_STACKSIZE-512M} - ${additionalCommands} - ${ if variant == "env" then ''exec "$@"'' else diff --git a/local/pkgs/vasp/nvidia/default.nix b/local/pkgs/vasp/nvidia/default.nix index 51e281b9..66460449 100644 --- a/local/pkgs/vasp/nvidia/default.nix +++ b/local/pkgs/vasp/nvidia/default.nix @@ -1,6 +1,6 @@ { buildFHSEnv, writeScript, stdenvNoCC, requireFile, substituteAll, symlinkJoin, - config, cudaCapabilities ? config.cudaCapabilities, nvhpcArch ? config.nvhpcArch or "px", additionalCommands ? "", + config, cudaCapabilities ? config.cudaCapabilities, nvhpcArch ? config.nvhpcArch or "px", nvhpc, lmod, mkl, gfortran, rsync, which, hdf5, wannier90, zlib }: let @@ -67,8 +67,6 @@ let fi export OMP_NUM_THREADS - ${additionalCommands} - ${ if variant == "env" then ''exec "$@"'' else