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add python-spectral

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This commit is contained in:
陈浩南 2023-07-04 19:48:27 +08:00
parent 6d90b99fb2
commit 6cc866dfec
3 changed files with 17 additions and 1 deletions
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1
localPackages/default.nix
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@ -2,5 +2,6 @@
{
typora = callPackage ./typora {};
upho = python3Packages.callPackage ./upho {};
spectral = python3Packages.callPackage ./spectral {};
vesta = callPackage ./vesta {};
}

15
localPackages/spectral/default.nix Normal file
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@ -0,0 +1,15 @@
{
lib, fetchPypi, buildPythonPackage,
numpy, pillow, wxPython_4_2, matplotlib, ipython, pyopengl
}: buildPythonPackage rec
{
pname = "spectral";
version = "0.23.1";
src = fetchPypi
{
inherit pname version;
sha256 = "sha256-4YIic1Je81g7J6lmIm1Vr+CefSmnI2z82LwN+x+Wj8I=";
};
doCheck = false;
propagatedBuildInputs = [ numpy pillow wxPython_4_2 matplotlib ipython pyopengl ];
}

2
modules/packages/hpc.nix
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@ -6,7 +6,7 @@ inputs:
(python3.withPackages (ps: with ps;
[
phonopy inquirerpy requests tqdm
localPackages.upho
localPackages.upho localPackages.spectral
]))
mathematica octave root cling gfortran
qchem.quantum-espresso