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localPackages.oneapi: add 2022.2

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陈浩南
2024-02-25 18:59:54 +08:00
parent 890000b9ef
commit 90101eb222
5 changed files with 40 additions and 10 deletions
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2
local/pkgs/default.nix
View File

@@ -57,7 +57,7 @@
intel = callPackage ./vasp/intel
{
inherit lmod;
oneapi = oneapi."2024.0";
oneapi = oneapi."2022.2";
hdf5 = hdf5.override { mpiSupport = true; fortranSupport = true; };
inherit (unstablePackages) wannier90;
};

36
local/pkgs/oneapi/default.nix
View File

@@ -5,6 +5,32 @@
let
versions =
{
"2022.2" =
{
basekit =
{
id = "18673";
version = "2022.2.0.262";
sha256 = "03qx6sb58mkhc7iyc8va4y1ihj6l3155dxwmqj8dfw7j2ma7r5f6";
components =
[
"intel.oneapi.lin.dpcpp-ct"
"intel.oneapi.lin.dpcpp_dbg"
"intel.oneapi.lin.dpl"
"intel.oneapi.lin.tbb.devel"
"intel.oneapi.lin.ccl.devel"
"intel.oneapi.lin.dpcpp-cpp-compiler"
"intel.oneapi.lin.dpl"
"intel.oneapi.lin.mkl.devel"
];
};
hpckit =
{
id = "18679";
version = "2022.2.0.191";
sha256 = "0swz4w9bn58wwqjkqhjqnkcs8k8ms9nn9s8k7j5w6rzvsa6817d2";
};
};
"2024.0" =
{
basekit =
@@ -24,10 +50,12 @@ let
builder = buildFHSEnv
{
name = "builder";
targetPkgs = pkgs: with pkgs; [ coreutils ];
targetPkgs = pkgs: with pkgs; [ coreutils zlib ];
extraBwrapArgs = [ "--bind" "$out" "$out" ];
runScript = "sh";
};
componentString = components: if components == null then "--components default" else
" --components " + (builtins.concatStringsSep ":" components);
in let buildOneapi = version: stdenvNoCC.mkDerivation rec
{
pname = "oneapi";
@@ -49,8 +77,10 @@ in let buildOneapi = version: stdenvNoCC.mkDerivation rec
installPhase =
''
mkdir -p $out
${builder}/bin/builder ${basekit} -a --silent --eula accept --install-dir $out/share/intel
${builder}/bin/builder ${hpckit} -a --silent --eula accept --install-dir $out/share/intel
${builder}/bin/builder ${basekit} -a --silent --eula accept --install-dir $out/share/intel \
${componentString versions.${version}.basekit.components or null}
${builder}/bin/builder ${hpckit} -a --silent --eula accept --install-dir $out/share/intel \
${componentString versions.${version}.hpckit.components or null}
${builder}/bin/builder $out/share/intel/modulefiles-setup.sh --output-dir=$out/share/intel/modulefiles \
--ignore-latest
'';

4
local/pkgs/vasp/intel/default.nix
View File

@@ -24,7 +24,7 @@ let
{
src = ./makefile.include-${version};
inherit oneapiArch;
gcc = symlinkJoin { name = "gcc"; paths = [ gcc gcc.cc glibc.dev ]; };
gcc = symlinkJoin { name = "gcc"; paths = [ gfortran gfortran.cc gcc ]; };
};
vasp = version: stdenvNoCC.mkDerivation rec
{
@@ -43,7 +43,7 @@ let
cp ${../constr_cell_relax.F} src/constr_cell_relax.F
'';
enableParallelBuilding = false;
buildInputs = [ hdf5 hdf5.dev wannier90 glibc.dev ];
buildInputs = [ hdf5 hdf5.dev wannier90 glibc glibc.dev ];
nativeBuildInputs = [ gfortran gfortran.cc gcc rsync which ];
HDF5_ROOT = hdf5.dev;
WANNIER90_ROOT = wannier90;

4
local/pkgs/vasp/intel/makefile.include-6.3.1
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@@ -30,7 +30,7 @@ OBJECTS_O2 += fft3dlib.o
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = icx --gcc-toolchain=@gcc@ -I@gcc@/include
CC_LIB = icc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
@@ -38,7 +38,7 @@ FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o getshmem.o
# For the parser library
CXX_PARS = icpx --gcc-toolchain=@gcc@ -I@gcc@/include
CXX_PARS = icpc
LLIBS = -lstdc++
##

4
local/pkgs/vasp/intel/makefile.include-6.4.0
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@@ -30,7 +30,7 @@ OBJECTS_O2 += fft3dlib.o
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = icx --gcc-toolchain=@gcc@ -I@gcc@/include
CC_LIB = icc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
@@ -38,7 +38,7 @@ FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o getshmem.o
# For the parser library
CXX_PARS = icpx --gcc-toolchain=@gcc@ -I@gcc@/include
CXX_PARS = icpc
LLIBS = -lstdc++
##