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quantum-espresso: switch to fetchFromGitLab

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This commit is contained in:
Felix Buehler 2021-09-15 23:13:57 +02:00
parent 284c97a695
commit 64bac8e874
1 changed files with 18 additions and 11 deletions
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29
pkgs/applications/science/chemistry/quantum-espresso/default.nix
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@ -1,5 +1,10 @@
{ lib, stdenv, fetchurl
, gfortran, fftw, blas, lapack
{ lib
, stdenv
, fetchFromGitLab
, gfortran
, fftw
, blas
, lapack
, useMpi ? false
, mpi
}:
@ -8,9 +13,11 @@ stdenv.mkDerivation rec {
version = "6.6";
pname = "quantum-espresso";
src = fetchurl {
url = "https://gitlab.com/QEF/q-e/-/archive/qe-${version}/q-e-qe-${version}.tar.gz";
sha256 = "0b3718bwdqfyssyz25jknijar79qh5cf1bbizv9faliz135mcilj";
src = fetchFromGitLab {
owner = "QEF";
repo = "q-e";
rev = "qe-${version}";
sha256 = "1mkfmw0fq1dabplzdn6v1abhw0ds55gzlvbx3a9brv493whk21yp";
};
passthru = {
@ -24,18 +31,18 @@ stdenv.mkDerivation rec {
buildInputs = [ fftw blas lapack gfortran ]
++ (lib.optionals useMpi [ mpi ]);
configureFlags = if useMpi then [ "LD=${mpi}/bin/mpif90" ] else [ "LD=${gfortran}/bin/gfortran" ];
configureFlags = if useMpi then [ "LD=${mpi}/bin/mpif90" ] else [ "LD=${gfortran}/bin/gfortran" ];
makeFlags = [ "all" ];
meta = with lib; {
description = "Electronic-structure calculations and materials modeling at the nanoscale";
longDescription = ''
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for
electronic-structure calculations and materials modeling at the
nanoscale. It is based on density-functional theory, plane waves, and
pseudopotentials.
'';
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for
electronic-structure calculations and materials modeling at the
nanoscale. It is based on density-functional theory, plane waves, and
pseudopotentials.
'';
homepage = "https://www.quantum-espresso.org/";
license = licenses.gpl2;
platforms = [ "x86_64-linux" "x86_64-darwin" ];