From f968afe9f453f712d1833c10045de3622fab42b0 Mon Sep 17 00:00:00 2001 From: Bobby Rong Date: Mon, 16 Sep 2024 09:27:37 +0800 Subject: [PATCH 01/15] =?UTF-8?q?webkitgtk:=202.44.3=20=E2=86=92=202.46.0?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit https://github.com/WebKit/WebKit/blob/webkitgtk-2.46.0/Source/WebKit/gtk/NEWS https://github.com/WebKit/WebKit/commits/webkitgtk-2.46.0/Source/cmake Explicitly add cairo, fontconfig and freetype. --- pkgs/development/libraries/webkitgtk/default.nix | 14 ++++++++++++-- 1 file changed, 12 insertions(+), 2 deletions(-) diff --git a/pkgs/development/libraries/webkitgtk/default.nix b/pkgs/development/libraries/webkitgtk/default.nix index 5ad079e133ca6..710509e436edd 100644 --- a/pkgs/development/libraries/webkitgtk/default.nix +++ b/pkgs/development/libraries/webkitgtk/default.nix @@ -29,11 +29,13 @@ , libepoxy , libjxl , at-spi2-core +, cairo , libxml2 , libsoup , libsecret , libxslt , harfbuzz +, libsysprof-capture , libpthreadstubs , nettle , libtasn1 @@ -50,6 +52,8 @@ , libmanette , geoclue2 , flite +, fontconfig +, freetype , openssl , sqlite , gst-plugins-base @@ -73,7 +77,7 @@ stdenv.mkDerivation (finalAttrs: { pname = "webkitgtk"; - version = "2.44.3"; + version = "2.46.0"; name = "${finalAttrs.pname}-${finalAttrs.version}+abi=${if lib.versionAtLeast gtk3.version "4.0" then "6.0" else "4.${if lib.versions.major libsoup.version == "2" then "0" else "1"}"}"; outputs = [ "out" "dev" "devdoc" ]; @@ -84,7 +88,7 @@ stdenv.mkDerivation (finalAttrs: { src = fetchurl { url = "https://webkitgtk.org/releases/webkitgtk-${finalAttrs.version}.tar.xz"; - hash = "sha256-3ILQQuysqYGkhSNXwG5SNXQzGc8QqUzTatQbl4g6C1Q="; + hash = "sha256-1NQzBA8ZAVFWDFC96ECFAIn4e61P76nr20quhWo99Do="; }; patches = lib.optionals stdenv.hostPlatform.isLinux [ @@ -124,6 +128,7 @@ stdenv.mkDerivation (finalAttrs: { buildInputs = [ at-spi2-core + cairo # required even when using skia enchant2 libavif libepoxy @@ -141,6 +146,7 @@ stdenv.mkDerivation (finalAttrs: { libintl lcms2 libpthreadstubs + libsysprof-capture libtasn1 libwebp libxkbcommon @@ -151,6 +157,10 @@ stdenv.mkDerivation (finalAttrs: { p11-kit sqlite woff2 + ] ++ lib.optionals stdenv.hostPlatform.isBigEndian [ + # https://bugs.webkit.org/show_bug.cgi?id=274032 + fontconfig + freetype ] ++ lib.optionals stdenv.hostPlatform.isDarwin [ libedit readline From 093f67c9a9162304f4363b99a2ce0438203f514c Mon Sep 17 00:00:00 2001 From: Bobby Rong Date: Wed, 18 Sep 2024 22:08:20 +0800 Subject: [PATCH 02/15] webkitgtk: Enable hyphen again This is enabled in mostly all distros and from what I saw when this option is disabled hyphen is not packaged yet. ref: b82874e6dc78cfc3efe7a8a8f0453de152d05ff0 ref: 86a760948b9066535265cfb1724fcbb87534259f --- pkgs/development/libraries/webkitgtk/default.nix | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/pkgs/development/libraries/webkitgtk/default.nix b/pkgs/development/libraries/webkitgtk/default.nix index 710509e436edd..ee4af8214a379 100644 --- a/pkgs/development/libraries/webkitgtk/default.nix +++ b/pkgs/development/libraries/webkitgtk/default.nix @@ -35,6 +35,7 @@ , libsecret , libxslt , harfbuzz +, hyphen , libsysprof-capture , libpthreadstubs , nettle @@ -137,6 +138,7 @@ stdenv.mkDerivation (finalAttrs: { gst-plugins-bad gst-plugins-base harfbuzz + hyphen libGL libGLU mesa # for libEGL headers @@ -206,7 +208,6 @@ stdenv.mkDerivation (finalAttrs: { [ "-DENABLE_INTROSPECTION=ON" "-DPORT=GTK" - "-DUSE_LIBHYPHEN=OFF" "-DUSE_SOUP2=${cmakeBool (lib.versions.major libsoup.version == "2")}" "-DUSE_LIBSECRET=${cmakeBool withLibsecret}" "-DENABLE_EXPERIMENTAL_FEATURES=${cmakeBool enableExperimental}" From 1c9263c763b990215118758902ec95f41a904aa8 Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Thu, 26 Sep 2024 20:44:24 +0200 Subject: [PATCH 03/15] abracadabra: 2.5.1 -> 2.6.0 --- pkgs/applications/radio/abracadabra/default.nix | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/pkgs/applications/radio/abracadabra/default.nix b/pkgs/applications/radio/abracadabra/default.nix index f1177fe5419ef..6bae50f427178 100644 --- a/pkgs/applications/radio/abracadabra/default.nix +++ b/pkgs/applications/radio/abracadabra/default.nix @@ -1,18 +1,18 @@ { lib, stdenv, fetchFromGitHub, cmake, wrapQtAppsHook -, qtbase, qtmultimedia, qttools +, qtbase, qtmultimedia, qttools, qtpositioning, qtlocation , faad2, mpg123, portaudio , libusb1, rtl-sdr, airspy, soapysdr-with-plugins } : stdenv.mkDerivation rec { pname = "abracadabra"; - version = "2.5.1"; + version = "2.6.0"; src = fetchFromGitHub { owner = "KejPi"; repo = "AbracaDABra"; rev = "v${version}"; - hash = "sha256-EaHVHfyhQTxxLtb3wsJV7Fea2jyENnfn6Lv/3GwAKdk="; + hash = "sha256-oO8ef2VTw/gVNNU2JRXtEHEkJm7X7dypjZr0vZXCfH8="; }; nativeBuildInputs = [ @@ -24,6 +24,8 @@ stdenv.mkDerivation rec { buildInputs = [ qtbase qtmultimedia + qtlocation + qtpositioning faad2 mpg123 portaudio From b86a96d1747dc4c580e002c8e433666aa490adbd Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Thu, 26 Sep 2024 20:48:45 +0200 Subject: [PATCH 04/15] abracadabra: apply nixfmt --- .../radio/abracadabra/default.nix | 25 ++++++++++++++----- 1 file changed, 19 insertions(+), 6 deletions(-) diff --git a/pkgs/applications/radio/abracadabra/default.nix b/pkgs/applications/radio/abracadabra/default.nix index 6bae50f427178..faede7f8d7f6d 100644 --- a/pkgs/applications/radio/abracadabra/default.nix +++ b/pkgs/applications/radio/abracadabra/default.nix @@ -1,8 +1,22 @@ -{ lib, stdenv, fetchFromGitHub, cmake, wrapQtAppsHook -, qtbase, qtmultimedia, qttools, qtpositioning, qtlocation -, faad2, mpg123, portaudio -, libusb1, rtl-sdr, airspy, soapysdr-with-plugins -} : +{ + lib, + stdenv, + fetchFromGitHub, + cmake, + wrapQtAppsHook, + qtbase, + qtmultimedia, + qttools, + qtpositioning, + qtlocation, + faad2, + mpg123, + portaudio, + libusb1, + rtl-sdr, + airspy, + soapysdr-with-plugins, +}: stdenv.mkDerivation rec { pname = "abracadabra"; @@ -49,4 +63,3 @@ stdenv.mkDerivation rec { mainProgram = "AbracaDABra"; }; } - From d16a573e0483ef171c010a45a27dcc8c15b37708 Mon Sep 17 00:00:00 2001 From: "R. Ryantm" Date: Thu, 26 Sep 2024 21:14:09 +0000 Subject: [PATCH 05/15] anydesk: 6.3.2 -> 6.3.3 --- pkgs/applications/networking/remote/anydesk/default.nix | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pkgs/applications/networking/remote/anydesk/default.nix b/pkgs/applications/networking/remote/anydesk/default.nix index ef1c08ef2dcc7..35da8969ae2ee 100644 --- a/pkgs/applications/networking/remote/anydesk/default.nix +++ b/pkgs/applications/networking/remote/anydesk/default.nix @@ -7,14 +7,14 @@ let description = "Desktop sharing application, providing remote support and online meetings"; in stdenv.mkDerivation (finalAttrs: { pname = "anydesk"; - version = "6.3.2"; + version = "6.3.3"; src = fetchurl { urls = [ "https://download.anydesk.com/linux/anydesk-${finalAttrs.version}-amd64.tar.gz" "https://download.anydesk.com/linux/generic-linux/anydesk-${finalAttrs.version}-amd64.tar.gz" ]; - hash = "sha256-nSY4qHRsEvQk4M3JDHalAk3C6Y21WlfDQ2Gpp6/jjMs="; + hash = "sha256-uSotkFOpuC2a2sRTagY9KFx3F2VJmgrsn+dBa5ycdck="; }; buildInputs = [ From f231b7dac1accf7348b7108d8a87fd6137c2da0a Mon Sep 17 00:00:00 2001 From: Gaetan Lepage Date: Fri, 27 Sep 2024 07:58:55 +0200 Subject: [PATCH 06/15] python312Packages.cleanvision: init at 0.3.6 --- .../python-modules/cleanvision/default.nix | 79 +++++++++++++++++++ pkgs/top-level/python-packages.nix | 2 + 2 files changed, 81 insertions(+) create mode 100644 pkgs/development/python-modules/cleanvision/default.nix diff --git a/pkgs/development/python-modules/cleanvision/default.nix b/pkgs/development/python-modules/cleanvision/default.nix new file mode 100644 index 0000000000000..e82ebeb52f7ca --- /dev/null +++ b/pkgs/development/python-modules/cleanvision/default.nix @@ -0,0 +1,79 @@ +{ + lib, + stdenv, + buildPythonPackage, + fetchFromGitHub, + + # build-system + setuptools, + + # dependencies + fsspec, + imagehash, + matplotlib, + numpy, + pandas, + pillow, + tabulate, + tqdm, + + # tests + datasets, + psutil, + pytestCheckHook, + torchvision, +}: + +buildPythonPackage rec { + pname = "cleanvision"; + version = "0.3.6"; + pyproject = true; + + src = fetchFromGitHub { + owner = "cleanlab"; + repo = "cleanvision"; + rev = "refs/tags/v${version}"; + hash = "sha256-QAydDqLJx/jYKXqxRUElTdM5dOFA6nZag8rNAjPZjRg="; + }; + + build-system = [ setuptools ]; + + dependencies = [ + fsspec + imagehash + matplotlib + numpy + pandas + pillow + tabulate + tqdm + ]; + + pythonImportsCheck = [ "cleanvision" ]; + + nativeCheckInputs = [ + datasets + psutil + pytestCheckHook + torchvision + ]; + + preCheck = '' + export HOME=$(mktemp -d) + ''; + + disabledTests = [ + # Requires accessing s3 (online) + "test_s3_dataset" + ]; + + meta = { + description = "Automatically find issues in image datasets and practice data-centric computer vision"; + homepage = "https://github.com/cleanlab/cleanvision"; + changelog = "https://github.com/cleanlab/cleanvision/releases/tag/v${version}"; + license = lib.licenses.agpl3Only; + maintainers = with lib.maintainers; [ GaetanLepage ]; + # Fatal Python error: Aborted + broken = stdenv.isDarwin; + }; +} diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index 4d4de65cad52d..5f4c18055d164 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -2282,6 +2282,8 @@ self: super: with self; { cleanlab = callPackage ../development/python-modules/cleanlab { }; + cleanvision = callPackage ../development/python-modules/cleanvision { }; + cleo = callPackage ../development/python-modules/cleo { }; clevercsv = callPackage ../development/python-modules/clevercsv { }; From cfa3385876f7cdc1785052e0c2d8573a5a68b448 Mon Sep 17 00:00:00 2001 From: Gaetan Lepage Date: Thu, 26 Sep 2024 21:55:02 +0200 Subject: [PATCH 07/15] python312Packages.cleanlab: add missing dependency cleanvision --- pkgs/development/python-modules/cleanlab/default.nix | 2 ++ 1 file changed, 2 insertions(+) diff --git a/pkgs/development/python-modules/cleanlab/default.nix b/pkgs/development/python-modules/cleanlab/default.nix index d2fad3fdd220b..66bcee0c48ba3 100644 --- a/pkgs/development/python-modules/cleanlab/default.nix +++ b/pkgs/development/python-modules/cleanlab/default.nix @@ -14,6 +14,7 @@ pandas, # test dependencies + cleanvision, datasets, fasttext, hypothesis, @@ -58,6 +59,7 @@ buildPythonPackage rec { doCheck = true; nativeCheckInputs = [ + cleanvision datasets fasttext hypothesis From 69ade965c86c9f13217c96e0b0df806a8ed03a9c Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Fri, 27 Sep 2024 10:00:01 +0200 Subject: [PATCH 08/15] cp2k: add runHooks to configure and install phases --- pkgs/applications/science/chemistry/cp2k/default.nix | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/pkgs/applications/science/chemistry/cp2k/default.nix b/pkgs/applications/science/chemistry/cp2k/default.nix index 70d6c515d3d72..b6e41eaf664a4 100644 --- a/pkgs/applications/science/chemistry/cp2k/default.nix +++ b/pkgs/applications/science/chemistry/cp2k/default.nix @@ -136,6 +136,8 @@ stdenv.mkDerivation rec { ''; configurePhase = '' + runHook preConfigure + cat > arch/${arch}.${cp2kVersion} << EOF CC = mpicc CPP = @@ -196,6 +198,8 @@ stdenv.mkDerivation rec { LDFLAGS = \$(FCFLAGS) \$(LIBS) include ${plumed}/lib/plumed/src/lib/Plumed.inc EOF + + runHook postConfigure ''; nativeCheckInputs = [ @@ -213,6 +217,8 @@ stdenv.mkDerivation rec { ''; installPhase = '' + runHook preInstall + mkdir -p $out/bin $out/share/cp2k cp exe/${arch}/* $out/bin @@ -228,6 +234,8 @@ stdenv.mkDerivation rec { --set OMP_NUM_THREADS 1 cp -r data/* $out/share/cp2k + + runHook postInstall ''; passthru = { inherit mpi; }; From 5c2dc80629317ccbc154f6c3f1a29e2865270c27 Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Fri, 27 Sep 2024 10:17:21 +0200 Subject: [PATCH 09/15] cp2k: remove "with lib" in meta --- pkgs/applications/science/chemistry/cp2k/default.nix | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/pkgs/applications/science/chemistry/cp2k/default.nix b/pkgs/applications/science/chemistry/cp2k/default.nix index b6e41eaf664a4..3ff00bc1cd2fe 100644 --- a/pkgs/applications/science/chemistry/cp2k/default.nix +++ b/pkgs/applications/science/chemistry/cp2k/default.nix @@ -240,11 +240,11 @@ stdenv.mkDerivation rec { 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" ]; }; } From aacd278c145bec967e95c1ec46917af42cbe5d99 Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Fri, 27 Sep 2024 10:49:27 +0200 Subject: [PATCH 10/15] cp2k: apply nixfmt --- .../science/chemistry/cp2k/default.nix | 243 ++++++++++-------- 1 file changed, 133 insertions(+), 110 deletions(-) diff --git a/pkgs/applications/science/chemistry/cp2k/default.nix b/pkgs/applications/science/chemistry/cp2k/default.nix index 3ff00bc1cd2fe..95c7f04610327 100644 --- a/pkgs/applications/science/chemistry/cp2k/default.nix +++ b/pkgs/applications/science/chemistry/cp2k/default.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; - - 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 - ] - ; + 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 + ]; propagatedBuildInputs = [ (lib.getBin mpi) ]; propagatedUserEnvPkgs = [ mpi ]; @@ -145,28 +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 \ @@ -189,12 +207,15 @@ 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 @@ -238,7 +259,9 @@ stdenv.mkDerivation rec { runHook postInstall ''; - passthru = { inherit mpi; }; + passthru = { + inherit mpi; + }; meta = { description = "Quantum chemistry and solid state physics program"; From 4fc8395633b00bd935cfb4f459f12f257c65674c Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Fri, 27 Sep 2024 10:50:58 +0200 Subject: [PATCH 11/15] cp2k: move to pkgs/by-name --- .../chemistry/cp2k/default.nix => by-name/cp/cp2k/package.nix} | 0 .../chemistry => by-name/cp}/cp2k/remove-compiler-options.patch | 0 pkgs/top-level/all-packages.nix | 2 -- 3 files changed, 2 deletions(-) rename pkgs/{applications/science/chemistry/cp2k/default.nix => by-name/cp/cp2k/package.nix} (100%) rename pkgs/{applications/science/chemistry => by-name/cp}/cp2k/remove-compiler-options.patch (100%) diff --git a/pkgs/applications/science/chemistry/cp2k/default.nix b/pkgs/by-name/cp/cp2k/package.nix similarity index 100% rename from pkgs/applications/science/chemistry/cp2k/default.nix rename to pkgs/by-name/cp/cp2k/package.nix 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 4533750950db0..27f985a6d9fe9 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -36034,8 +36034,6 @@ 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 { }; From f4b643fcd3b34a15754eeda1f27c40a15172531a Mon Sep 17 00:00:00 2001 From: phanirithvij Date: Tue, 24 Sep 2024 12:07:33 +0530 Subject: [PATCH 12/15] python312Packages.aiohttp: disable failing test Signed-off-by: phanirithvij --- pkgs/development/python-modules/aiohttp/default.nix | 1 + 1 file changed, 1 insertion(+) diff --git a/pkgs/development/python-modules/aiohttp/default.nix b/pkgs/development/python-modules/aiohttp/default.nix index 576ea16a39f82..aa72b600e311f 100644 --- a/pkgs/development/python-modules/aiohttp/default.nix +++ b/pkgs/development/python-modules/aiohttp/default.nix @@ -110,6 +110,7 @@ buildPythonPackage rec { "test_client_session_timeout_zero" "test_mark_formdata_as_processed" "test_requote_redirect_url_default" + "test_https_proxy_unsupported_tls_in_tls" # don't run benchmarks "test_import_time" ] From e1883b3e81a86d69c1d7a116054bc9d129ff9e1c Mon Sep 17 00:00:00 2001 From: Phani Rithvij Date: Tue, 24 Sep 2024 17:37:17 +0530 Subject: [PATCH 13/15] odoo: enable tests MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Robert Schütz odoo: update, fix update script Signed-off-by: phanirithvij --- pkgs/by-name/od/odoo/package.nix | 7 ++----- pkgs/by-name/od/odoo/update.sh | 2 +- 2 files changed, 3 insertions(+), 6 deletions(-) diff --git a/pkgs/by-name/od/odoo/package.nix b/pkgs/by-name/od/odoo/package.nix index fd3768bcd7428..121337998dd14 100644 --- a/pkgs/by-name/od/odoo/package.nix +++ b/pkgs/by-name/od/odoo/package.nix @@ -6,7 +6,7 @@ , wkhtmltopdf , nixosTests , odoo_version ? "17.0" -, odoo_release ? "20240610" +, odoo_release ? "20240925" }: let @@ -35,12 +35,9 @@ in python.pkgs.buildPythonApplication rec { # find latest version on https://nightly.odoo.com/${odoo_version}/nightly/src url = "https://nightly.odoo.com/${odoo_version}/nightly/src/odoo_${version}.zip"; name = "${pname}-${version}"; - hash = "sha256-blibGJyaz+MxMazOXhPbGBAJWZoGubirwSnjVYyLBJs="; # odoo + hash = "sha256-MY8dj0WJOEYVA99vdp+N/xMkUpX7/ThTcIFkhtRRbQA="; # odoo }; - # needs some investigation - doCheck = false; - makeWrapperArgs = [ "--prefix" "PATH" ":" "${lib.makeBinPath [ wkhtmltopdf rtlcss ]}" ]; diff --git a/pkgs/by-name/od/odoo/update.sh b/pkgs/by-name/od/odoo/update.sh index e9c50ccb50815..4ddbf7d27bb85 100755 --- a/pkgs/by-name/od/odoo/update.sh +++ b/pkgs/by-name/od/odoo/update.sh @@ -21,6 +21,6 @@ fi cd "$(dirname "${BASH_SOURCE[0]}")" -sed -ri "s| hash.+ # odoo| hash = \"$(nix-prefetch -q fetchzip --url "https://nightly.odoo.com/${VERSION}/nightly/src/odoo_${latestVersion}.zip")\"; # odoo|g" package.nix +sed -ri "s| hash.+ # odoo| hash = \"$(nix-prefetch -q fetchzip --option extra-experimental-features flakes --url "https://nightly.odoo.com/${VERSION}/nightly/src/odoo_${latestVersion}.zip")\"; # odoo|g" package.nix sed -ri "s|, odoo_version \? .+|, odoo_version ? \"$VERSION\"|" package.nix sed -ri "s|, odoo_release \? .+|, odoo_release ? \"$RELEASE\"|" package.nix From 77ae049d8000cf5660c270971662a8f4124ac932 Mon Sep 17 00:00:00 2001 From: phanirithvij Date: Wed, 25 Sep 2024 13:10:55 +0530 Subject: [PATCH 14/15] odoo16: update and enable tests Signed-off-by: phanirithvij --- pkgs/by-name/od/odoo16/package.nix | 30 ++++-------------------------- 1 file changed, 4 insertions(+), 26 deletions(-) diff --git a/pkgs/by-name/od/odoo16/package.nix b/pkgs/by-name/od/odoo16/package.nix index 91e634a13b225..3cb1cc52ec70c 100644 --- a/pkgs/by-name/od/odoo16/package.nix +++ b/pkgs/by-name/od/odoo16/package.nix @@ -4,34 +4,14 @@ , rtlcss , wkhtmltopdf , nixosTests +, odoo_version ? "16.0" +, odoo_release ? "20240924" }: let python = python310.override { self = python; - packageOverrides = self: super: { - flask = super.flask.overridePythonAttrs (old: rec { - version = "2.3.3"; - src = old.src.override { - inherit version; - hash = "sha256-CcNHqSqn/0qOfzIGeV8w2CZlS684uHPQdEzVccpgnvw="; - }; - }); - werkzeug = super.werkzeug.overridePythonAttrs (old: rec { - version = "2.3.7"; - src = old.src.override { - inherit version; - hash = "sha256-K4wORHtLnbzIXdl7butNy69si2w74L1lTiVVPgohV9g="; - }; - disabledTests = old.disabledTests ++ [ - "test_response_body" - ]; - }); - }; }; - - odoo_version = "16.0"; - odoo_release = "20231024"; in python.pkgs.buildPythonApplication rec { pname = "odoo"; version = "${odoo_version}.${odoo_release}"; @@ -42,12 +22,9 @@ in python.pkgs.buildPythonApplication rec { src = fetchzip { url = "https://nightly.odoo.com/${odoo_version}/nightly/src/odoo_${version}.zip"; name = "${pname}-${version}"; - hash = "sha256-Ux8RfA7kWLKissBBY5wrfL+aKKw++5BxjP3Vw0JAOsk="; # odoo + hash = "sha256-i2hVGh6JrgL/taB0CMbqGd//M6t8ZsUdCGX9aJHpJRk="; # odoo }; - # needs some investigation - doCheck = false; - makeWrapperArgs = [ "--prefix" "PATH" ":" "${lib.makeBinPath [ wkhtmltopdf rtlcss ]}" ]; @@ -66,6 +43,7 @@ in python.pkgs.buildPythonApplication rec { jinja2 libsass lxml + lxml-html-clean markupsafe num2words ofxparse From 99f527374db3157c97d1f0d84e4733b2bc0dd823 Mon Sep 17 00:00:00 2001 From: phanirithvij Date: Wed, 25 Sep 2024 14:25:59 +0530 Subject: [PATCH 15/15] odoo15: update and enable tests Signed-off-by: phanirithvij --- pkgs/by-name/od/odoo15/package.nix | 53 +++++++----------------------- 1 file changed, 12 insertions(+), 41 deletions(-) diff --git a/pkgs/by-name/od/odoo15/package.nix b/pkgs/by-name/od/odoo15/package.nix index 0ea859435e9ec..cbedb93b2af24 100644 --- a/pkgs/by-name/od/odoo15/package.nix +++ b/pkgs/by-name/od/odoo15/package.nix @@ -1,45 +1,18 @@ -{ lib, fetchFromGitHub, fetchzip, python310, rtlcss, wkhtmltopdf -, nixosTests }: +{ lib +, fetchFromGitHub +, fetchzip +, python310 +, rtlcss +, wkhtmltopdf +, nixosTests +, odoo_version ? "15.0" +, odoo_release ? "20240924" +}: let python = python310.override { self = python; - packageOverrides = self: super: { - pypdf2 = super.pypdf2.overridePythonAttrs (old: rec { - version = "1.28.6"; - format = "setuptools"; - - src = fetchFromGitHub { - owner = "py-pdf"; - repo = "pypdf"; - rev = version; - fetchSubmodules = true; - hash = "sha256-WnRbsy/PJcotZqY9mJPLadrYqkXykOVifLIbDyNf4s4="; - }; - - nativeBuildInputs = [ ]; - - nativeCheckInputs = with self; [ pytestCheckHook pillow ]; - }); - flask = super.flask.overridePythonAttrs (old: rec { - version = "2.1.3"; - src = old.src.override { - inherit version; - hash = "sha256-FZcuUBffBXXD1sCQuhaLbbkCWeYgrI1+qBOjlrrVtss="; - }; - }); - werkzeug = super.werkzeug.overridePythonAttrs (old: rec { - version = "2.1.2"; - src = old.src.override { - inherit version; - hash = "sha256-HOCOgJPtZ9Y41jh5/Rujc1gX96gN42dNKT9ZhPJftuY="; - }; - }); - }; }; - - odoo_version = "15.0"; - odoo_release = "20230816"; in python.pkgs.buildPythonApplication rec { pname = "odoo15"; version = "${odoo_version}.${odoo_release}"; @@ -50,12 +23,9 @@ in python.pkgs.buildPythonApplication rec { src = fetchzip { url = "https://nightly.odoo.com/${odoo_version}/nightly/src/odoo_${version}.zip"; name = "${pname}-${version}"; - hash = "sha256-h81JA0o44DVtl/bZ52rGQfg54TigwQcNpcMjQbi0zIQ="; # odoo + hash = "sha256-v448wQdj8qMDA35wSgBt+SqeX+VfN/hvquf8K6hfleA="; # odoo }; - # needs some investigation - doCheck = false; - makeWrapperArgs = [ "--prefix" "PATH" @@ -76,6 +46,7 @@ in python.pkgs.buildPythonApplication rec { jinja2 libsass lxml + lxml-html-clean markupsafe mock num2words