diff --git a/pkgs/applications/science/chemistry/nwchem/default.nix b/pkgs/applications/science/chemistry/nwchem/default.nix index 54c5d6c6fd52..a11d651b3d7a 100644 --- a/pkgs/applications/science/chemistry/nwchem/default.nix +++ b/pkgs/applications/science/chemistry/nwchem/default.nix @@ -20,6 +20,7 @@ autoconf, libtool, makeWrapper, + mpich, }: assert blas-ilp64.isILP64 == lapack-ilp64.isILP64; @@ -48,17 +49,20 @@ let }; in -stdenv.mkDerivation rec { +stdenv.mkDerivation (finalAttrs: { pname = "nwchem"; version = "7.2.3"; src = fetchFromGitHub { owner = "nwchemgit"; repo = "nwchem"; - rev = "v${version}-release"; + tag = "v${finalAttrs.version}-release"; hash = "sha256-2qc4kLb/WmUJuJGonIyS7pgCfyt8yXdcpDAKU0RMY58="; }; + strictDeps = true; + __structuredAttrs = true; + outputs = [ "out" "dev" @@ -72,10 +76,12 @@ stdenv.mkDerivation rec { makeWrapper gfortran which + mpich + python3 + openssh ]; buildInputs = [ tcsh - openssh blas-ilp64 lapack-ilp64 scalapack-ilp64 @@ -236,4 +242,4 @@ stdenv.mkDerivation rec { homepage = "https://nwchemgit.github.io"; license = lib.licenses.ecl20; }; -} +})