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localPackages.vasp: downgrade

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陈浩南 2024-05-14 14:58:58 +08:00
parent 055f63f0c9
commit a661584161
2 changed files with 4 additions and 4 deletions
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4
local/pkgs/vasp/nvidia/makefile.include
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@ -11,7 +11,7 @@ CPP_OPTIONS = -DHOST=\"LinuxNV\" \
-Dfock_dblbuf \
-D_OPENMP \
-D_OPENACC \
-DUSENCCL -Duse_shmem -Dshmem_bcast_buffer -Dshmem_rproj
-DUSENCCL -DUSENCCLP2P -Duse_shmem -Dshmem_bcast_buffer -Dshmem_rproj
CPP = nvfortran -Mpreprocess -Mfree -Mextend -E $(CPP_OPTIONS) $*$(FUFFIX) > $*$(SUFFIX)
@ -79,7 +79,7 @@ INCS += -I$(QD)/include/qd
# Intel MKL for FFTW, BLAS, LAPACK, and scaLAPACK
MKLROOT ?= /path/to/your/mkl/installation
LLIBS_MKL = -Mmkl -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
LLIBS_MKL = -Mmkl -L$(MKLROOT)/lib -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
INCS += -I$(MKLROOT)/include/fftw
# Use a separate scaLAPACK installation (optional but recommended in combination with OpenMPI)

4
local/pkgs/vasp/source.nix
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@ -1,7 +1,7 @@
{ requireFile }: requireFile
{
name = "vasp.6.4.3.tgz";
name = "vasp.6.4.2.tgz";
# nix-prefetch-url file://$(pwd)/vasp.6.4.3.tgz
sha256 = "1x14dixils77rr4c6yqmxkvyzgfz6906badsw2shksd3y9ryfc7y";
sha256 = "03j14fqjkp3w3x356d32v4vffzycqpnh7j7vmn8kyrw4fdzn615p";
message = "Source file not found.";
}