diff --git a/pkgs/applications/science/chemistry/cp2k/default.nix b/pkgs/by-name/cp/cp2k/package.nix
similarity index 53%
rename from pkgs/applications/science/chemistry/cp2k/default.nix
rename to pkgs/by-name/cp/cp2k/package.nix
index 70d6c515d3d7..95c7f0461032 100644
--- a/pkgs/applications/science/chemistry/cp2k/default.nix
+++ b/pkgs/by-name/cp/cp2k/package.nix
@@ -1,55 +1,61 @@
-{ lib
-, stdenv
-, fetchFromGitHub
-, mpiCheckPhaseHook
-, python3
-, gfortran
-, blas
-, lapack
-, fftw
-, libint
-, libvori
-, libxc
-, dftd4
-, mctc-lib
-, mstore
-, multicharge
-, mpi
-, gsl
-, scalapack
-, openssh
-, makeWrapper
-, libxsmm
-, spglib
-, which
-, pkg-config
-, plumed
-, zlib
-, hdf5-fortran
-, sirius
-, libvdwxc
-, spla
-, spfft
-, enableElpa ? false
-, elpa
-, cudaPackages
-, rocmPackages
-, config
-, gpuBackend ? (
-  if config.cudaSupport
-  then "cuda"
-  else if config.rocmSupport
-  then "rocm"
-  else "none"
-)
-# Change to a value suitable for your target GPU.
-# For AMD values see https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2v-rocmhip-support-for-amd-gpu
-# and for Nvidia see https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2i-cuda-optional-improved-performance-on-gpu-systems
-, gpuVersion ? ( if gpuBackend == "cuda" then "A100" else "Mi100" )
-, gpuArch ? ( if gpuBackend == "cuda" then "sm_80" else "gfx908" )
+{
+  lib,
+  stdenv,
+  fetchFromGitHub,
+  mpiCheckPhaseHook,
+  python3,
+  gfortran,
+  blas,
+  lapack,
+  fftw,
+  libint,
+  libvori,
+  libxc,
+  dftd4,
+  mctc-lib,
+  mstore,
+  multicharge,
+  mpi,
+  gsl,
+  scalapack,
+  openssh,
+  makeWrapper,
+  libxsmm,
+  spglib,
+  which,
+  pkg-config,
+  plumed,
+  zlib,
+  hdf5-fortran,
+  sirius,
+  libvdwxc,
+  spla,
+  spfft,
+  enableElpa ? false,
+  elpa,
+  cudaPackages,
+  rocmPackages,
+  config,
+  gpuBackend ? (
+    if config.cudaSupport then
+      "cuda"
+    else if config.rocmSupport then
+      "rocm"
+    else
+      "none"
+  ),
+  # Change to a value suitable for your target GPU.
+  # For AMD values see https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2v-rocmhip-support-for-amd-gpu
+  # and for Nvidia see https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2i-cuda-optional-improved-performance-on-gpu-systems
+  gpuVersion ? (if gpuBackend == "cuda" then "A100" else "Mi100"),
+  gpuArch ? (if gpuBackend == "cuda" then "sm_80" else "gfx908"),
 }:
 
-assert builtins.elem gpuBackend [ "none" "cuda" "rocm" ];
+assert builtins.elem gpuBackend [
+  "none"
+  "cuda"
+  "rocm"
+];
 
 let
   cp2kVersion = "psmp";
@@ -74,47 +80,53 @@ stdenv.mkDerivation rec {
     ./remove-compiler-options.patch
   ];
 
-  nativeBuildInputs = [ python3 which openssh makeWrapper pkg-config ]
-    ++ lib.optional (gpuBackend == "cuda") cudaPackages.cuda_nvcc;
+  nativeBuildInputs = [
+    python3
+    which
+    openssh
+    makeWrapper
+    pkg-config
+  ] ++ lib.optional (gpuBackend == "cuda") cudaPackages.cuda_nvcc;
 
-  buildInputs = [
-    gfortran
-    fftw
-    gsl
-    libint
-    libvori
-    libxc
-    dftd4
-    mctc-lib
-    mstore
-    multicharge
-    libxsmm
-    mpi
-    spglib
-    scalapack
-    blas
-    lapack
-    plumed
-    zlib
-    hdf5-fortran
-    sirius
-    spla
-    spfft
-    libvdwxc
-  ]
-  ++ lib.optional enableElpa elpa
-  ++ lib.optionals (gpuBackend == "cuda") [
-    cudaPackages.cuda_cudart
-    cudaPackages.libcublas
-    cudaPackages.cuda_nvrtc
-  ] ++ lib.optionals (gpuBackend == "rocm") [
-    rocmPackages.clr
-    rocmPackages.rocm-core
-    rocmPackages.hipblas
-    rocmPackages.hipfft
-    rocmPackages.rocblas
-  ]
-  ;
+  buildInputs =
+    [
+      gfortran
+      fftw
+      gsl
+      libint
+      libvori
+      libxc
+      dftd4
+      mctc-lib
+      mstore
+      multicharge
+      libxsmm
+      mpi
+      spglib
+      scalapack
+      blas
+      lapack
+      plumed
+      zlib
+      hdf5-fortran
+      sirius
+      spla
+      spfft
+      libvdwxc
+    ]
+    ++ lib.optional enableElpa elpa
+    ++ lib.optionals (gpuBackend == "cuda") [
+      cudaPackages.cuda_cudart
+      cudaPackages.libcublas
+      cudaPackages.cuda_nvrtc
+    ]
+    ++ lib.optionals (gpuBackend == "rocm") [
+      rocmPackages.clr
+      rocmPackages.rocm-core
+      rocmPackages.hipblas
+      rocmPackages.hipfft
+      rocmPackages.rocblas
+    ];
 
   propagatedBuildInputs = [ (lib.getBin mpi) ];
   propagatedUserEnvPkgs = [ mpi ];
@@ -136,6 +148,8 @@ stdenv.mkDerivation rec {
   '';
 
   configurePhase = ''
+    runHook preConfigure
+
     cat > arch/${arch}.${cp2kVersion} << EOF
     CC         = mpicc
     CPP        =
@@ -143,28 +157,34 @@ stdenv.mkDerivation rec {
     LD         = mpif90
     AR         = ar -r
     ${lib.strings.optionalString (gpuBackend == "cuda") ''
-    OFFLOAD_CC = nvcc
-    OFFLOAD_FLAGS = -O3 -g -w --std=c++11 -arch ${gpuArch}
-    OFFLOAD_TARGET = cuda
-    GPUVER = ${gpuVersion}
-    CXX = mpicxx
-    CXXFLAGS = -std=c++11 -fopenmp
+      OFFLOAD_CC = nvcc
+      OFFLOAD_FLAGS = -O3 -g -w --std=c++11 -arch ${gpuArch}
+      OFFLOAD_TARGET = cuda
+      GPUVER = ${gpuVersion}
+      CXX = mpicxx
+      CXXFLAGS = -std=c++11 -fopenmp
     ''}
     ${lib.strings.optionalString (gpuBackend == "rocm") ''
-    GPUVER = ${gpuVersion}
-    OFFLOAD_CC = hipcc
-    OFFLOAD_FLAGS = -fopenmp -m64 -pthread -fPIC -D__GRID_HIP -O2 --offload-arch=${gpuArch} --rocm-path=${rocmPackages.rocm-core}
-    OFFLOAD_TARGET = hip
-    CXX = mpicxx
-    CXXFLAGS = -std=c++11 -fopenmp -D__HIP_PLATFORM_AMD__
+      GPUVER = ${gpuVersion}
+      OFFLOAD_CC = hipcc
+      OFFLOAD_FLAGS = -fopenmp -m64 -pthread -fPIC -D__GRID_HIP -O2 --offload-arch=${gpuArch} --rocm-path=${rocmPackages.rocm-core}
+      OFFLOAD_TARGET = hip
+      CXX = mpicxx
+      CXXFLAGS = -std=c++11 -fopenmp -D__HIP_PLATFORM_AMD__
     ''}
     DFLAGS     = -D__FFTW3 -D__LIBXC -D__LIBINT -D__parallel -D__SCALAPACK \
                  -D__MPI_VERSION=3 -D__F2008 -D__LIBXSMM -D__SPGLIB \
                  -D__MAX_CONTR=4 -D__LIBVORI ${lib.optionalString enableElpa "-D__ELPA"} \
                  -D__PLUMED2 -D__HDF5 -D__GSL -D__SIRIUS -D__LIBVDWXC -D__SPFFT -D__SPLA \
                  -D__DFTD4 \
-                 ${lib.strings.optionalString (gpuBackend == "cuda") "-D__OFFLOAD_CUDA -D__ACC -D__DBCSR_ACC -D__NO_OFFLOAD_PW"} \
-                 ${lib.strings.optionalString (gpuBackend == "rocm") "-D__OFFLOAD_HIP -D__DBCSR_ACC -D__NO_OFFLOAD_PW"}
+                 ${
+                   lib.strings.optionalString (
+                     gpuBackend == "cuda"
+                   ) "-D__OFFLOAD_CUDA -D__ACC -D__DBCSR_ACC -D__NO_OFFLOAD_PW"
+                 } \
+                 ${
+                   lib.strings.optionalString (gpuBackend == "rocm") "-D__OFFLOAD_HIP -D__DBCSR_ACC -D__NO_OFFLOAD_PW"
+                 }
     CFLAGS    = -fopenmp
     FCFLAGS    = \$(DFLAGS) -O2 -ffree-form -ffree-line-length-none \
                  -ftree-vectorize -funroll-loops -msse2 \
@@ -187,15 +207,20 @@ stdenv.mkDerivation rec {
                  -lz -ldl ${lib.optionalString (mpi.pname == "openmpi") "$(mpicxx --showme:link)"} \
                  -lplumed -lhdf5_fortran -lhdf5_hl -lhdf5 -lgsl -lsirius -lspla -lspfft -lvdwxc \
                  -ldftd4 -lmstore -lmulticharge -lmctc-lib \
-                 ${lib.strings.optionalString (gpuBackend == "cuda") ''
-                   -L${cudaPackages.cuda_cudart}/lib/stubs/ \
-                   -lcudart -lnvrtc -lcuda -lcublas
+                 ${
+                   lib.strings.optionalString (gpuBackend == "cuda") ''
+                     -L${cudaPackages.cuda_cudart}/lib/stubs/ \
+                     -lcudart -lnvrtc -lcuda -lcublas
                    ''
                  } \
-                 ${lib.strings.optionalString (gpuBackend == "rocm") "-lamdhip64 -lhipfft -lhipblas -lrocblas"}
+                 ${
+                   lib.strings.optionalString (gpuBackend == "rocm") "-lamdhip64 -lhipfft -lhipblas -lrocblas"
+                 }
     LDFLAGS    = \$(FCFLAGS) \$(LIBS)
     include ${plumed}/lib/plumed/src/lib/Plumed.inc
     EOF
+
+    runHook postConfigure
   '';
 
   nativeCheckInputs = [
@@ -213,6 +238,8 @@ stdenv.mkDerivation rec {
   '';
 
   installPhase = ''
+    runHook preInstall
+
     mkdir -p $out/bin $out/share/cp2k
 
     cp exe/${arch}/* $out/bin
@@ -228,15 +255,19 @@ stdenv.mkDerivation rec {
       --set OMP_NUM_THREADS 1
 
     cp -r data/* $out/share/cp2k
+
+    runHook postInstall
   '';
 
-  passthru = { inherit mpi; };
+  passthru = {
+    inherit mpi;
+  };
 
-  meta = with lib; {
+  meta = {
     description = "Quantum chemistry and solid state physics program";
     homepage = "https://www.cp2k.org";
-    license = licenses.gpl2Plus;
-    maintainers = [ maintainers.sheepforce ];
+    license = lib.licenses.gpl2Plus;
+    maintainers = [ lib.maintainers.sheepforce ];
     platforms = [ "x86_64-linux" ];
   };
 }
diff --git a/pkgs/applications/science/chemistry/cp2k/remove-compiler-options.patch b/pkgs/by-name/cp/cp2k/remove-compiler-options.patch
similarity index 100%
rename from pkgs/applications/science/chemistry/cp2k/remove-compiler-options.patch
rename to pkgs/by-name/cp/cp2k/remove-compiler-options.patch
diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index 04f23329415d..ea26f96ba51d 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -36024,8 +36024,6 @@ with pkgs;
 
   avogadro2 = libsForQt5.callPackage ../applications/science/chemistry/avogadro2 { };
 
-  cp2k = callPackage ../applications/science/chemistry/cp2k { };
-
   d-seams = callPackage ../applications/science/chemistry/d-seams { };
 
   ergoscf = callPackage ../applications/science/chemistry/ergoscf { };