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This commit is contained in:
陈浩南
2025-02-26 11:45:59 +08:00
parent 8d9ef4d90a
commit 12dbeb8de4
4 changed files with 9 additions and 2 deletions
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3
packages/vasp/intel/default.nix
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@@ -37,6 +37,9 @@ let vasp = stdenv.mkDerivation
# tell openmpi use ifx # tell openmpi use ifx
OMPI_F90 = "ifx"; OMPI_F90 = "ifx";
dontStrip = true;
dontPatchELF = true;
}; };
in writeShellScriptBin "vasp-intel" in writeShellScriptBin "vasp-intel"
'' ''

3
packages/vasp/intel/makefile.include
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@@ -19,7 +19,8 @@ FREE = -free -names lowercase
FFLAGS = -assume byterecl -w FFLAGS = -assume byterecl -w
OFLAG = -O2 # OFLAG = -O2
OFLAG = -g
OFLAG_IN = $(OFLAG) OFLAG_IN = $(OFLAG)
DEBUG = -O0 DEBUG = -O0

2
packages/vasp/nvidia/default.nix
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@@ -35,6 +35,8 @@ let vasp = stdenv.mkDerivation
MKLROOT = mkl; MKLROOT = mkl;
QD = "${stdenv.cc.cc}/Linux_x86_64/${stdenv.cc.cc.version}/compilers/extras/qd"; QD = "${stdenv.cc.cc}/Linux_x86_64/${stdenv.cc.cc.version}/compilers/extras/qd";
}; };
dontStrip = true;
dontPatchELF = true;
}; };
in writeShellScriptBin "vasp-nvidia" in writeShellScriptBin "vasp-nvidia"
'' ''

3
packages/vasp/nvidia/makefile.include
View File

@@ -24,7 +24,8 @@ FREE = -Mfree
FFLAGS = -Mbackslash -Mlarge_arrays FFLAGS = -Mbackslash -Mlarge_arrays
OFLAG = -fast # OFLAG = -fast
OFLAG = -g
DEBUG = -Mfree -O0 -traceback DEBUG = -Mfree -O0 -traceback