lol

quantum-espresso: switch to fetchFromGitLab

+18 -11
+18 -11
pkgs/applications/science/chemistry/quantum-espresso/default.nix
··· 1 - { lib, stdenv, fetchurl 2 - , gfortran, fftw, blas, lapack 3 , useMpi ? false 4 , mpi 5 }: ··· 8 version = "6.6"; 9 pname = "quantum-espresso"; 10 11 - src = fetchurl { 12 - url = "https://gitlab.com/QEF/q-e/-/archive/qe-${version}/q-e-qe-${version}.tar.gz"; 13 - sha256 = "0b3718bwdqfyssyz25jknijar79qh5cf1bbizv9faliz135mcilj"; 14 }; 15 16 passthru = { ··· 24 buildInputs = [ fftw blas lapack gfortran ] 25 ++ (lib.optionals useMpi [ mpi ]); 26 27 - configureFlags = if useMpi then [ "LD=${mpi}/bin/mpif90" ] else [ "LD=${gfortran}/bin/gfortran" ]; 28 29 makeFlags = [ "all" ]; 30 31 meta = with lib; { 32 description = "Electronic-structure calculations and materials modeling at the nanoscale"; 33 longDescription = '' 34 - Quantum ESPRESSO is an integrated suite of Open-Source computer codes for 35 - electronic-structure calculations and materials modeling at the 36 - nanoscale. It is based on density-functional theory, plane waves, and 37 - pseudopotentials. 38 - ''; 39 homepage = "https://www.quantum-espresso.org/"; 40 license = licenses.gpl2; 41 platforms = [ "x86_64-linux" "x86_64-darwin" ];
··· 1 + { lib 2 + , stdenv 3 + , fetchFromGitLab 4 + , gfortran 5 + , fftw 6 + , blas 7 + , lapack 8 , useMpi ? false 9 , mpi 10 }: ··· 13 version = "6.6"; 14 pname = "quantum-espresso"; 15 16 + src = fetchFromGitLab { 17 + owner = "QEF"; 18 + repo = "q-e"; 19 + rev = "qe-${version}"; 20 + sha256 = "1mkfmw0fq1dabplzdn6v1abhw0ds55gzlvbx3a9brv493whk21yp"; 21 }; 22 23 passthru = { ··· 31 buildInputs = [ fftw blas lapack gfortran ] 32 ++ (lib.optionals useMpi [ mpi ]); 33 34 + configureFlags = if useMpi then [ "LD=${mpi}/bin/mpif90" ] else [ "LD=${gfortran}/bin/gfortran" ]; 35 36 makeFlags = [ "all" ]; 37 38 meta = with lib; { 39 description = "Electronic-structure calculations and materials modeling at the nanoscale"; 40 longDescription = '' 41 + Quantum ESPRESSO is an integrated suite of Open-Source computer codes for 42 + electronic-structure calculations and materials modeling at the 43 + nanoscale. It is based on density-functional theory, plane waves, and 44 + pseudopotentials. 45 + ''; 46 homepage = "https://www.quantum-espresso.org/"; 47 license = licenses.gpl2; 48 platforms = [ "x86_64-linux" "x86_64-darwin" ];