From 64bac8e8740de4cb1cba2edd8db86459a7960cd2 Mon Sep 17 00:00:00 2001 From: Felix Buehler Date: Wed, 15 Sep 2021 23:13:57 +0200 Subject: quantum-espresso: switch to fetchFromGitLab --- .../science/chemistry/quantum-espresso/default.nix | 29 ++++++++++++++-------- 1 file changed, 18 insertions(+), 11 deletions(-) (limited to 'pkgs/applications/science/chemistry/quantum-espresso') diff --git a/pkgs/applications/science/chemistry/quantum-espresso/default.nix b/pkgs/applications/science/chemistry/quantum-espresso/default.nix index a348c51c28156..6889aec535776 100644 --- a/pkgs/applications/science/chemistry/quantum-espresso/default.nix +++ b/pkgs/applications/science/chemistry/quantum-espresso/default.nix @@ -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" ]; -- cgit 1.4.1