2 files changed, 15 insertions, 29 deletions

diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index 01270b99a1d68..e037089848fd7 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -4975,12 +4975,11 @@ in
   hdf5 = callPackage ../tools/misc/hdf5 {
     gfortran = null;
     szip = null;
-    mpi = null;
   };
 
   hdf5-mpi = appendToName "mpi" (hdf5.override {
     szip = null;
-    mpi = pkgs.openmpi;
+    mpiSupport = true;
   });
 
   hdf5-cpp = appendToName "cpp" (hdf5.override {
@@ -7220,6 +7219,8 @@ in
 
   openmpi = callPackage ../development/libraries/openmpi { };
 
+  mpi = openmpi; # this attribute should used to build MPI applications
+
   ucx = callPackage ../development/libraries/ucx {};
 
   openmodelica = callPackage ../applications/science/misc/openmodelica {
@@ -22101,9 +22102,7 @@ in
 
   fractal = callPackage ../applications/networking/instant-messengers/fractal { };
 
-  freecad = libsForQt5.callPackage ../applications/graphics/freecad {
-    mpi = openmpi;
-  };
+  freecad = libsForQt5.callPackage ../applications/graphics/freecad { };
 
   freemind = callPackage ../applications/misc/freemind {
     jdk = jdk8; # TODO: remove override https://github.com/NixOS/nixpkgs/pull/89731
@@ -22489,7 +22488,7 @@ in
 
   hpcg = callPackage ../tools/misc/hpcg/default.nix { };
 
-  hpl = callPackage ../tools/misc/hpl { mpi = openmpi; };
+  hpl = callPackage ../tools/misc/hpl { };
 
   hpmyroom = libsForQt5.callPackage ../applications/networking/hpmyroom { };
 
@@ -27263,15 +27262,11 @@ in
 
   quantum-espresso = callPackage ../applications/science/chemistry/quantum-espresso { };
 
-  quantum-espresso-mpi = callPackage ../applications/science/chemistry/quantum-espresso {
-     mpi = openmpi;
-  };
+  quantum-espresso-mpi = callPackage ../applications/science/chemistry/quantum-espresso { useMpi = true; };
 
   siesta = callPackage ../applications/science/chemistry/siesta { };
 
-  siesta-mpi = callPackage ../applications/science/chemistry/siesta {
-     mpi = openmpi;
-  };
+  siesta-mpi = callPackage ../applications/science/chemistry/siesta { useMpi = true; };
 
   ### SCIENCE/GEOMETRY
 
@@ -27402,7 +27397,7 @@ in
   };
 
   neuron-mpi = appendToName "mpi" (neuron.override {
-    mpi = pkgs.openmpi;
+    useMpi = true;
   });
 
   neuron-full = neuron-mpi.override { inherit python; };
@@ -27454,7 +27449,7 @@ in
   raxml = callPackage ../applications/science/biology/raxml { };
 
   raxml-mpi = appendToName "mpi" (raxml.override {
-    mpi = true;
+    useMpi = true;
   });
 
   sambamba = callPackage ../applications/science/biology/sambamba { };
@@ -27576,9 +27571,7 @@ in
 
   planarity = callPackage ../development/libraries/science/math/planarity { };
 
-  scalapack = callPackage ../development/libraries/science/math/scalapack {
-    mpi = openmpi;
-  };
+  scalapack = callPackage ../development/libraries/science/math/scalapack { };
 
   rankwidth = callPackage ../development/libraries/science/math/rankwidth { };
 
@@ -27608,9 +27601,7 @@ in
 
   petsc = callPackage ../development/libraries/science/math/petsc { };
 
-  parmetis = callPackage ../development/libraries/science/math/parmetis {
-    mpi = openmpi;
-  };
+  parmetis = callPackage ../development/libraries/science/math/parmetis { };
 
   QuadProgpp = callPackage ../development/libraries/science/math/QuadProgpp { };
 
@@ -27640,17 +27631,13 @@ in
 
   ### SCIENCE/MOLECULAR-DYNAMICS
 
-  dl-poly-classic-mpi = callPackage ../applications/science/molecular-dynamics/dl-poly-classic {
-    mpi = openmpi;
-  };
+  dl-poly-classic-mpi = callPackage ../applications/science/molecular-dynamics/dl-poly-classic { };
 
   lammps = callPackage ../applications/science/molecular-dynamics/lammps {
     fftw = fftw;
   };
 
-  lammps-mpi = lowPrio (lammps.override {
-    mpi = openmpi;
-  });
+  lammps-mpi = lowPrio (lammps.override { withMPI = true; });
 
   gromacs = callPackage ../applications/science/molecular-dynamics/gromacs {
     singlePrec = true;
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index 2b3aadd7210cc..d37d837e4e12a 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -2188,7 +2188,6 @@ in {
 
   fenics = callPackage ../development/libraries/science/math/fenics {
     inherit (pkgs) pkg-config;
-    mpi = pkgs.openmpi;
     pytest = self.pytest_4;
   };
 
@@ -3490,7 +3489,7 @@ in {
 
   labelbox = callPackage ../development/python-modules/labelbox { };
 
-  lammps-cython = callPackage ../development/python-modules/lammps-cython { mpi = pkgs.openmpi; };
+  lammps-cython = callPackage ../development/python-modules/lammps-cython { mpi = pkgs.mpi; };
 
   langcodes = callPackage ../development/python-modules/langcodes { };
 
@@ -4124,7 +4123,7 @@ in {
 
   mpd = callPackage ../development/python-modules/mpd { };
 
-  mpi4py = callPackage ../development/python-modules/mpi4py { mpi = pkgs.openmpi; };
+  mpi4py = callPackage ../development/python-modules/mpi4py { mpi = pkgs.mpi; };
 
   mplleaflet = callPackage ../development/python-modules/mplleaflet { };