Merge branch 'nixos-unstable' of https://github.com/NixOS/nixpkgs

Conflicts: nixpkgs/nixos/modules/config/console.nix nixpkgs/nixos/modules/services/mail/mailman.nix nixpkgs/nixos/modules/services/mail/public-inbox.nix nixpkgs/nixos/modules/services/mail/rss2email.nix nixpkgs/nixos/modules/services/networking/ssh/sshd.nix nixpkgs/pkgs/applications/networking/instant-messengers/dino/default.nix nixpkgs/pkgs/applications/networking/irc/weechat/default.nix nixpkgs/pkgs/applications/window-managers/sway/default.nix nixpkgs/pkgs/build-support/go/module.nix nixpkgs/pkgs/build-support/rust/build-rust-package/default.nix nixpkgs/pkgs/development/interpreters/python/default.nix nixpkgs/pkgs/development/node-packages/overrides.nix nixpkgs/pkgs/development/tools/b4/default.nix nixpkgs/pkgs/servers/dict/dictd-db.nix nixpkgs/pkgs/servers/mail/public-inbox/default.nix nixpkgs/pkgs/tools/security/pinentry/default.nix nixpkgs/pkgs/tools/text/unoconv/default.nix nixpkgs/pkgs/top-level/all-packages.nix
author: Alyssa Ross <hi@alyssa.is> 2023-06-16 06:56:35 +0000
committer: Alyssa Ross <hi@alyssa.is> 2023-06-16 06:56:35 +0000
commit: 99fcaeccb89621dd492203ce1f2d551c06f228ed (patch)
tree: 41cb730ae07383004789779b0f6e11cb3f4642a3 /nixpkgs/pkgs/development/libraries/science
parent: 59c5f5ac8682acc13bb22bc29c7cf02f7d75f01f (diff)
parent: 75a5ebf473cd60148ba9aec0d219f72e5cf52519 (diff)
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86 files changed, 2420 insertions, 698 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/cfitsio/default.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/cfitsio/default.nix
index e7e8dd04b071..8a6b72f52130 100644
--- a/nixpkgs/pkgs/development/libraries/science/astronomy/cfitsio/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/cfitsio/default.nix
@@ -2,11 +2,11 @@
 
 stdenv.mkDerivation rec {
   pname = "cfitsio";
-  version = "4.1.0";
+  version = "4.2.0";
 
   src = fetchurl {
     url = "https://heasarc.gsfc.nasa.gov/FTP/software/fitsio/c/cfitsio-${version}.tar.gz";
-    sha256 = "sha256-s2fGldKDGVjnFmkhw7NW1d+lGx7O5QW5dBa6OdG2wXo=";
+    sha256 = "sha256-66U9Gz9uNFYyuwmnt1LsfO09Y+xRU6hIOA84gMXWGIk=";
   };
 
   buildInputs = [ bzip2 zlib ];
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/default.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/default.nix
index d0cf27bef5bd..cf722af9cbe1 100644
--- a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/default.nix
@@ -6,6 +6,7 @@
 , libusb1
 , zlib
 , boost
+, libev
 , libnova
 , curl
 , libjpeg
@@ -15,13 +16,13 @@
 
 stdenv.mkDerivation rec {
   pname = "indilib";
-  version = "1.9.5";
+  version = "1.9.8";
 
   src = fetchFromGitHub {
     owner = "indilib";
     repo = "indi";
     rev = "v${version}";
-    sha256 = "sha256-mj9rnPn85Fbc7Y8qRndqPVANzBrk3al+vDJagLTDJ04=";
+    sha256 = "sha256-+KFuZgM/Bl6Oezq3WXjWCHefc1wvR3wOKXejmT0pw1U=";
   };
 
   nativeBuildInputs = [
@@ -31,6 +32,7 @@ stdenv.mkDerivation rec {
   buildInputs = [
     curl
     cfitsio
+    libev
     libusb1
     zlib
     boost
@@ -51,6 +53,8 @@ stdenv.mkDerivation rec {
     changelog = "https://github.com/indilib/indi/releases/tag/v${version}";
     license = licenses.lgpl2Plus;
     maintainers = with maintainers; [ hjones2199 ];
-    platforms = platforms.linux;
+    platforms = platforms.unix;
+    # error: use of undeclared identifier 'MSG_NOSIGNAL'
+    broken = stdenv.isDarwin && stdenv.isx86_64;
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-3rdparty.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-3rdparty.nix
index c4faadd2a5eb..7144a17c18b4 100644
--- a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-3rdparty.nix
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-3rdparty.nix
@@ -48,6 +48,8 @@ stdenv.mkDerivation rec {
         --replace "/etc/udev/rules.d" "lib/udev/rules.d" \
         --replace "/lib/firmware" "lib/firmware"
     done
+
+    sed '1i#include <ctime>' -i indi-duino/libfirmata/src/firmata.cpp # gcc12
   '';
 
   cmakeFlags = [
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-firmware.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-firmware.nix
index d23673ac37ae..660433c2dd59 100644
--- a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-firmware.nix
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-firmware.nix
@@ -45,7 +45,7 @@ stdenv.mkDerivation rec {
   ];
 
   postPatch = ''
-    for f in libfishcamp/CMakeLists.txt libsbig/CMakeLists.txt
+    for f in {libfishcamp,libsbig,libqhy}/CMakeLists.txt
     do
       substituteInPlace $f --replace "/lib/firmware" "lib/firmware"
     done
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-full.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-full.nix
index a20c92dfaeba..fae8b95cb28c 100644
--- a/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-full.nix
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/indilib/indi-full.nix
@@ -1,12 +1,12 @@
 { stdenv, lib, callPackage, fetchFromGitHub, indilib }:
 
 let
-  indi-version = "1.9.3";
+  indi-version = "1.9.8";
   indi-3rdparty-src = fetchFromGitHub {
     owner = "indilib";
     repo = "indi-3rdparty";
     rev = "v${indi-version}";
-    sha256 = "sha256-TBccdheBEO48uIXd6tya6dytkzxaHg2+YancBkcL3bw=";
+    sha256 = "sha256-ZFbMyjMvAWcdsl+1TyX5/v5nY1DqvhZ2ckFBDe8gdQg=";
   };
   indi-firmware = callPackage ./indi-firmware.nix {
     version = indi-version;
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix
new file mode 100644
index 000000000000..e7e4bc98b0d8
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix
@@ -0,0 +1,47 @@
+{ lib
+, stdenv
+, fetchFromGitea
+, cmake
+, pkg-config
+, lz4
+, pugixml
+, zlib
+}:
+
+stdenv.mkDerivation (finalAttrs: {
+  pname = "libxisf";
+  version = "0.2.3";
+
+  src = fetchFromGitea {
+    domain = "gitea.nouspiro.space";
+    owner = "nou";
+    repo = "libXISF";
+    rev = "v${finalAttrs.version}";
+    hash = "sha256-u5EYnRO2rUV8ofLL9qfACeVvVbWXEXpkqh2Q4OOxpaQ=";
+  };
+
+  nativeBuildInputs = [
+    cmake
+    pkg-config
+  ];
+
+  cmakeFlags = [
+    "-DUSE_BUNDLED_LIBS=OFF"
+  ] ++ lib.optional stdenv.hostPlatform.isStatic "-DBUILD_SHARED_LIBS=OFF";
+
+  buildInputs = [
+    lz4
+    pugixml
+    zlib
+  ];
+
+  doCheck = true;
+
+  meta = with lib; {
+    description = "Library to load and write XISF format from PixInsight";
+    homepage = "https://gitea.nouspiro.space/nou/libXISF";
+    license = licenses.gpl3Plus;
+    maintainers = with maintainers; [ panicgh ];
+    platforms = platforms.linux;
+  };
+})
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/wcslib/default.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/wcslib/default.nix
index 2b2cade6fbba..bea05468cedc 100644
--- a/nixpkgs/pkgs/development/libraries/science/astronomy/wcslib/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/astronomy/wcslib/default.nix
@@ -2,11 +2,11 @@
 
 stdenv.mkDerivation rec {
   pname = "wcslib";
-  version = "7.9";
+  version = "7.12";
 
   src = fetchurl {
     url = "ftp://ftp.atnf.csiro.au/pub/software/wcslib/${pname}-${version}.tar.bz2";
-    sha256 = "sha256-vv+MHw6GAAeIE8Ay0a/NnLMFwx9WdWdDSCQjPVgqulg=";
+    sha256 = "sha256-nPjeUOEJqX+gRRHUER6NFL0KRAdxMqz3PmzwAp/pa9Q=";
   };
 
   nativeBuildInputs = [ flex ];
diff --git a/nixpkgs/pkgs/development/libraries/science/benchmark/papi/default.nix b/nixpkgs/pkgs/development/libraries/science/benchmark/papi/default.nix
index d4610d60415b..7e022bafbb40 100644
--- a/nixpkgs/pkgs/development/libraries/science/benchmark/papi/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/benchmark/papi/default.nix
@@ -3,12 +3,12 @@
 }:
 
 stdenv.mkDerivation rec {
-  version = "6.0.0.1";
+  version = "7.0.1";
   pname = "papi";
 
   src = fetchurl {
     url = "https://bitbucket.org/icl/papi/get/papi-${lib.replaceStrings ["."] ["-"] version}-t.tar.gz";
-    sha256 = "1jd67yadyffzxwsqlylsi0bx8ishb0cgj2ziz1wdslaz6ylvyf9j";
+    sha256 = "sha256-VajhmPW8sEJksfhLjBVlpBH7+AZr4fwKZPAtZxRF1Bk=";
   };
 
   setSourceRoot = ''
diff --git a/nixpkgs/pkgs/development/libraries/science/biology/EBTKS/default.nix b/nixpkgs/pkgs/development/libraries/science/biology/EBTKS/default.nix
index 2a832fc7c37a..7a6122fbc8db 100644
--- a/nixpkgs/pkgs/development/libraries/science/biology/EBTKS/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/biology/EBTKS/default.nix
@@ -11,6 +11,12 @@ stdenv.mkDerivation rec {
     sha256 = "1a1qw6i47fs1izx60l1ysabpmyx9j5sjnbdv8b47wi2xcc9i3hpq";
   };
 
+  # error: use of undeclared identifier 'finite'; did you mean 'isfinite'?
+  postPatch = ''
+    substituteInPlace templates/EBTKS/SimpleArray.h \
+      --replace "#define FINITE(x) finite(x)" "#define FINITE(x) isfinite(x)"
+  '';
+
   nativeBuildInputs = [ cmake ];
   buildInputs = [ libminc ];
 
diff --git a/nixpkgs/pkgs/development/libraries/science/biology/ciftilib/default.nix b/nixpkgs/pkgs/development/libraries/science/biology/ciftilib/default.nix
index 797607ed8f54..85b0b1c8a0e5 100644
--- a/nixpkgs/pkgs/development/libraries/science/biology/ciftilib/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/biology/ciftilib/default.nix
@@ -24,13 +24,16 @@ stdenv.mkDerivation rec {
 
   cmakeFlags = [ "-DCMAKE_CTEST_ARGUMENTS=--exclude-regex;'big|datatype-md5'" ];
 
+  # error: no member named 'file_string' in 'boost::filesystem::path'
+  env.NIX_CFLAGS_COMPILE = "-UCIFTILIB_BOOST_NO_FSV3";
+
   doCheck = true;
 
   meta = with lib; {
     homepage = "https://github.com/Washington-University/CiftiLib";
     description = "Library for reading and writing CIFTI files";
     maintainers = with maintainers; [ bcdarwin ];
-    platforms = platforms.linux;
+    platforms = platforms.unix;
     license = licenses.bsd2;
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/biology/edlib/default.nix b/nixpkgs/pkgs/development/libraries/science/biology/edlib/default.nix
new file mode 100644
index 000000000000..b8ea4a55291a
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/biology/edlib/default.nix
@@ -0,0 +1,30 @@
+{ lib, stdenv, fetchFromGitHub, cmake }:
+
+stdenv.mkDerivation rec {
+  pname = "edlib";
+  version = "unstable-2021-08-20";
+
+  src = fetchFromGitHub {
+    owner = "Martinsos";
+    repo = pname;
+    rev = "f8afceb49ab0095c852e0b8b488ae2c88e566afd";
+    hash = "sha256-P/tFbvPBtA0MYCNDabW+Ypo3ltwP4S+6lRDxwAZ1JFo=";
+  };
+
+  nativeBuildInputs = [ cmake ];
+
+  doCheck = true;
+  checkPhase = ''
+    runHook preCheck
+    bin/runTests
+    runHook postCheck
+  '';
+
+  meta = with lib; {
+    homepage = "https://martinsos.github.io/edlib";
+    description = "Lightweight, fast C/C++ library for sequence alignment using edit distance";
+    maintainers = with maintainers; [ bcdarwin ];
+    license = licenses.mit;
+    platforms = platforms.unix;
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/biology/elastix/default.nix b/nixpkgs/pkgs/development/libraries/science/biology/elastix/default.nix
index 84762414fef9..0344559f8a8f 100644
--- a/nixpkgs/pkgs/development/libraries/science/biology/elastix/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/biology/elastix/default.nix
@@ -1,25 +1,17 @@
-{ lib, stdenv, fetchFromGitHub, fetchpatch, cmake, itk, python3, Cocoa }:
+{ lib, stdenv, fetchFromGitHub, cmake, itk, Cocoa }:
 
 stdenv.mkDerivation rec {
   pname    = "elastix";
-  version = "5.0.1";
+  version = "5.1.0";
 
   src = fetchFromGitHub {
-    owner  = "SuperElastix";
-    repo   = pname;
-    rev    = version;
-    sha256 = "1mx8kkak2d3ibfrxrh8jkmh2zkdlgl9h578wiw3617zcwaa97bxw";
+    owner = "SuperElastix";
+    repo = pname;
+    rev = version;
+    hash = "sha256-wFeLU8IwiF43a9TAvecQG+QMw88PQZdJ8sI1Zz3ZeXc=";
   };
 
-  patches = [
-    (fetchpatch {
-      name = "install-executables.patch";  # https://github.com/SuperElastix/elastix/issues/305
-      url = "https://github.com/SuperElastix/elastix/commit/8e26cdc0d66f6030c7be085fdc424d84d4fc7546.patch";
-      sha256 = "12y9wbpi9jlarnw6fk4iby97jxvx5g4daq9zqblbcmn51r134bj5";
-    })
-  ];
-
-  nativeBuildInputs = [ cmake python3 ];
+  nativeBuildInputs = [ cmake ];
   buildInputs = [ itk ] ++ lib.optionals stdenv.isDarwin [ Cocoa ];
 
   doCheck = !stdenv.isDarwin;  # usual dynamic linker issues
diff --git a/nixpkgs/pkgs/development/libraries/science/biology/htslib/default.nix b/nixpkgs/pkgs/development/libraries/science/biology/htslib/default.nix
index 2e3f9dec3194..a3b35d55c9e8 100644
--- a/nixpkgs/pkgs/development/libraries/science/biology/htslib/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/biology/htslib/default.nix
@@ -2,11 +2,11 @@
 
 stdenv.mkDerivation rec {
   pname = "htslib";
-  version = "1.15";
+  version = "1.17";
 
   src = fetchurl {
     url = "https://github.com/samtools/htslib/releases/download/${version}/${pname}-${version}.tar.bz2";
-    sha256 = "sha256-Gp9JkRUDoi9WgXzILqm4f7fnRntf+YnKWqYcEufVMtk=";
+    sha256 = "sha256-djd5KIxA8HZG7HrZi5bDeMc5Fx0WKtmDmIaHg7chg58";
   };
 
   # perl is only used during the check phase.
diff --git a/nixpkgs/pkgs/development/libraries/science/biology/mirtk/default.nix b/nixpkgs/pkgs/development/libraries/science/biology/mirtk/default.nix
index d2615b391ffc..de419dc3d575 100644
--- a/nixpkgs/pkgs/development/libraries/science/biology/mirtk/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/biology/mirtk/default.nix
@@ -1,4 +1,4 @@
-{ lib, stdenv, gtest, fetchFromGitHub, cmake, boost, eigen, python3, vtk, zlib, tbb }:
+{ lib, stdenv, gtest, fetchFromGitHub, cmake, boost, eigen, python3, vtk_8, zlib, tbb }:
 
 stdenv.mkDerivation rec {
   version = "2.0.0";
@@ -32,7 +32,7 @@ stdenv.mkDerivation rec {
   '';
 
   nativeBuildInputs = [ cmake gtest ];
-  buildInputs = [ boost eigen python3 vtk zlib tbb ];
+  buildInputs = [ boost eigen python3 vtk_8 zlib tbb ];
 
   meta = with lib; {
     homepage = "https://github.com/BioMedIA/MIRTK";
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix
index b7f5f5f6d90e..e23fba7fb0eb 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix
@@ -21,13 +21,13 @@ let
 
 in stdenv.mkDerivation rec {
   pname = "avogadrolibs";
-  version = "1.95.1";
+  version = "1.97.0";
 
   src = fetchFromGitHub {
     owner = "OpenChemistry";
     repo = pname;
     rev = version;
-    sha256 = "0zzVg8xNqFwDrK8gRkDm3tRgBt7fD4K3Uy/ajUBc+eQ=";
+    hash = "sha256-ZGFyUlFyI403aw/6GVze/gronT67XlEOKuw5sfHeVy8=";
   };
 
   postUnpack = ''
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix
new file mode 100644
index 000000000000..c9f00fa72ee6
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix
@@ -0,0 +1,47 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, gfortran
+, blas
+, lapack
+, mctc-lib
+, mstore
+, multicharge
+}:
+
+assert !blas.isILP64 && !lapack.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "dftd4";
+  version = "3.5.0";
+
+  src = fetchFromGitHub {
+    owner = "dftd4";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-ZCoFbjTNQD7slq5sKwPRPkrHSHofsxU9C9h/bF5jmZI=";
+  };
+
+  nativeBuildInputs = [ cmake gfortran ];
+
+  buildInputs = [ blas lapack mctc-lib mstore multicharge ];
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/${pname}.pc \
+      --replace "''${prefix}/" ""
+  '';
+
+  doCheck = true;
+  preCheck = ''
+    export OMP_NUM_THREADS=2
+  '';
+
+  meta = with lib; {
+    description = "Generally Applicable Atomic-Charge Dependent London Dispersion Correction";
+    license = with licenses; [ lgpl3Plus gpl3Plus ];
+    homepage = "https://github.com/grimme-lab/dftd4";
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix
new file mode 100644
index 000000000000..54c0d03979ab
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix
@@ -0,0 +1,42 @@
+{ lib
+, stdenv
+, fetchFromGitHub
+, autoreconfHook
+, gfortran
+, blas
+, lapack
+}:
+
+assert !blas.isILP64;
+assert !lapack.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "harminv";
+  version = "1.4.2";
+
+  src = fetchFromGitHub {
+    owner = "NanoComp";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-EXEt7l69etcBdDdEDlD1ODOdhTBZCVjgY1jhRUDd/W0=";
+  };
+
+  # File is missing in the git checkout but required by autotools
+  postPatch = ''
+    touch ChangeLog
+  '';
+
+  nativeBuildInputs = [ autoreconfHook gfortran ];
+
+  buildInputs = [ blas lapack ];
+
+  configureFlags = [ "--enable-shared" ];
+
+  meta = with lib; {
+    description = "Harmonic inversion algorithm of Mandelshtam: decompose signal into sum of decaying sinusoids";
+    homepage = "https://github.com/NanoComp/harminv";
+    license = with licenses; [ gpl2Only ];
+    maintainers = with maintainers; [ sheepforce markuskowa ];
+    platforms = platforms.linux;
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix
new file mode 100644
index 000000000000..c3257bad3e26
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix
@@ -0,0 +1,32 @@
+{ lib
+, stdenv
+, fetchFromGitHub
+, autoreconfHook
+}:
+
+stdenv.mkDerivation rec {
+  pname = "libGDSII";
+  version = "0.21";
+
+  src = fetchFromGitHub {
+    owner = "HomerReid";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-EXEt7l69etcBdDdEDlD1ODOdhTBZCVjgY1jhRUDd/W0=";
+  };
+
+  # File is missing in the repo but automake requires it
+  postPatch = ''
+    touch ChangeLog
+  '';
+
+  nativeBuildInputs = [ autoreconfHook ];
+
+  meta = with lib; {
+    description = "Library and command-line utility for reading GDSII geometry files";
+    homepage = "https://github.com/HomerReid/libGDSII";
+    license = [ licenses.gpl2Only ];
+    maintainers = with maintainers; [ sheepforce markuskowa ];
+    platforms = platforms.linux;
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/libvdwxc/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/libvdwxc/default.nix
new file mode 100644
index 000000000000..f90cad4a099f
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/libvdwxc/default.nix
@@ -0,0 +1,52 @@
+{ stdenv
+, lib
+, fetchFromGitLab
+, gfortran
+, autoreconfHook
+, fftwMpi
+, mpi
+}:
+
+stdenv.mkDerivation rec {
+  pname = "libvdwxc";
+  # Stable version has non-working MPI detection.
+  version = "unstable-24.02.2020";
+
+  src = fetchFromGitLab {
+    owner = "libvdwxc";
+    repo = pname;
+    rev = "92f4910c6ac88e111db2fb3a518089d0510c53b0";
+    sha256 = "1c7pjrvifncbdyngs2bv185imxbcbq64nka8gshhp8n2ns6fids6";
+  };
+
+  nativeBuildInputs = [ autoreconfHook gfortran ];
+
+  propagatedBuildInputs = [ mpi fftwMpi ];
+
+  preConfigure = ''
+    mkdir build && cd build
+
+    export PATH=$PATH:${mpi}/bin
+    configureFlagsArray+=(
+      --with-mpi=${mpi}
+      CC=mpicc
+      FC=mpif90
+      MPICC=mpicc
+      MPIFC=mpif90
+    )
+  '';
+
+  configureScript = "../configure";
+
+  hardeningDisable = [ "format" ];
+
+  doCheck = true;
+
+  meta = with lib; {
+    description = "Portable C library of density functionals with van der Waals interactions for density functional theory";
+    license = with licenses; [ lgpl3Plus bsd3 ];
+    homepage = "https://libvdwxc.org/";
+    platforms = platforms.unix;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
new file mode 100644
index 000000000000..aeb7c8bb6f56
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
@@ -0,0 +1,39 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, gfortran
+, pkg-config
+, json-fortran
+, cmake
+}:
+
+stdenv.mkDerivation rec {
+  pname = "mctc-lib";
+  version = "0.3.1";
+
+  src = fetchFromGitHub {
+    owner = "grimme-lab";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-AXjg/ZsitdDf9fNoGVmVal1iZ4/sxjJb7A9W4yye/rg=";
+  };
+
+  nativeBuildInputs = [ gfortran pkg-config cmake ];
+
+  buildInputs = [ json-fortran ];
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/${pname}.pc \
+      --replace "''${prefix}/" ""
+  '';
+
+  doCheck = true;
+
+  meta = with lib; {
+    description = "Modular computation tool chain library";
+    homepage = "https://github.com/grimme-lab/mctc-lib";
+    license = licenses.asl20;
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix
new file mode 100644
index 000000000000..86e03df16b0e
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix
@@ -0,0 +1,36 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, gfortran
+, mctc-lib
+}:
+
+stdenv.mkDerivation rec {
+  pname = "mstore";
+  version = "0.2.0";
+
+  src = fetchFromGitHub {
+    owner = "grimme-lab";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-dN2BulLS/ENRFVdJIrZRxgBV8S4d5+7BjTCGnhBbf4I=";
+  };
+
+  nativeBuildInputs = [ cmake gfortran ];
+
+  buildInputs = [ mctc-lib ];
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/${pname}.pc \
+      --replace "''${prefix}/" ""
+  '';
+
+  meta = with lib; {
+    description = "Molecular structure store for testing";
+    license = licenses.asl20;
+    homepage = "https://github.com/grimme-lab/mstore";
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
new file mode 100644
index 000000000000..f61f11225f1b
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
@@ -0,0 +1,46 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, gfortran
+, blas
+, lapack
+, mctc-lib
+, mstore
+}:
+
+assert !blas.isILP64 && !lapack.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "multicharge";
+  version = "0.2.0";
+
+  src = fetchFromGitHub {
+    owner = "grimme-lab";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-oUI5x5/Gd0EZBb1w+0jlJUF9X51FnkHFu8H7KctqXl0=";
+  };
+
+  nativeBuildInputs = [ cmake gfortran ];
+
+  buildInputs = [ blas lapack mctc-lib mstore ];
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/${pname}.pc \
+      --replace "''${prefix}/" ""
+  '';
+
+  doCheck = true;
+  preCheck = ''
+    export OMP_NUM_THREADS=2
+  '';
+
+  meta = with lib; {
+    description = "Electronegativity equilibration model for atomic partial charges";
+    license = licenses.asl20;
+    homepage = "https://github.com/grimme-lab/multicharge";
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
new file mode 100644
index 000000000000..2ad84249758a
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
@@ -0,0 +1,105 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, gfortran
+, fftwSinglePrec
+, doxygen
+, swig
+, enablePython ? false
+, python3Packages
+, enableOpencl ? true
+, opencl-headers
+, ocl-icd
+, enableCuda ? false
+, cudaPackages
+, addOpenGLRunpath
+}:
+
+stdenv.mkDerivation rec {
+  pname = "openmm";
+  version = "8.0.0";
+
+  src = fetchFromGitHub {
+    owner = "openmm";
+    repo = pname;
+    rev = version;
+    hash = "sha256-89ngeZHdjyL/OoGuQ+F5eaXE1/od0EEfIgw9eKdLtL8=";
+  };
+
+  # "This test is stochastic and may occassionally fail". It does.
+  postPatch = ''
+    rm \
+      platforms/*/tests/Test*BrownianIntegrator.* \
+      platforms/*/tests/Test*LangevinIntegrator.* \
+      serialization/tests/TestSerializeIntegrator.cpp
+  '';
+
+  nativeBuildInputs = [
+    cmake
+    gfortran
+    swig
+    doxygen
+    python3Packages.python
+  ] ++ lib.optional enableCuda addOpenGLRunpath;
+
+  buildInputs = [ fftwSinglePrec ]
+    ++ lib.optionals enableOpencl [ ocl-icd opencl-headers ]
+    ++ lib.optional enableCuda cudaPackages.cudatoolkit;
+
+  propagatedBuildInputs = lib.optionals enablePython (with python3Packages; [
+    python
+    numpy
+    cython
+  ]);
+
+  cmakeFlags = [
+    "-DBUILD_TESTING=ON"
+    "-DOPENMM_BUILD_AMOEBA_PLUGIN=ON"
+    "-DOPENMM_BUILD_CPU_LIB=ON"
+    "-DOPENMM_BUILD_C_AND_FORTRAN_WRAPPERS=ON"
+    "-DOPENMM_BUILD_DRUDE_PLUGIN=ON"
+    "-DOPENMM_BUILD_PME_PLUGIN=ON"
+    "-DOPENMM_BUILD_RPMD_PLUGIN=ON"
+    "-DOPENMM_BUILD_SHARED_LIB=ON"
+  ] ++ lib.optionals enablePython [
+    "-DOPENMM_BUILD_PYTHON_WRAPPERS=ON"
+  ] ++ lib.optionals enableOpencl [
+    "-DOPENMM_BUILD_OPENCL_LIB=ON"
+    "-DOPENMM_BUILD_AMOEBA_OPENCL_LIB=ON"
+    "-DOPENMM_BUILD_DRUDE_OPENCL_LIB=ON"
+    "-DOPENMM_BUILD_RPMD_OPENCL_LIB=ON"
+  ] ++ lib.optionals enableCuda [
+    "-DCUDA_SDK_ROOT_DIR=${cudaPackages.cudatoolkit}"
+    "-DOPENMM_BUILD_AMOEBA_CUDA_LIB=ON"
+    "-DOPENMM_BUILD_CUDA_LIB=ON"
+    "-DOPENMM_BUILD_DRUDE_CUDA_LIB=ON"
+    "-DOPENMM_BUILD_RPMD_CUDA_LIB=ON"
+    "-DCMAKE_LIBRARY_PATH=${cudaPackages.cudatoolkit}/lib64/stubs"
+  ];
+
+  postInstall = lib.strings.optionalString enablePython ''
+      export OPENMM_LIB_PATH=$out/lib
+      export OPENMM_INCLUDE_PATH=$out/include
+      cd python
+      ${python3Packages.python.pythonForBuild.interpreter} setup.py build
+      ${python3Packages.python.pythonForBuild.interpreter} setup.py install --prefix=$out
+    '';
+
+  postFixup = ''
+    for lib in $out/lib/plugins/*CUDA.so $out/lib/plugins/*Cuda*.so; do
+      addOpenGLRunpath "$lib"
+    done
+  '';
+
+  # Couldn't get CUDA to run properly in the sandbox
+  doCheck = !enableCuda && !enableOpencl;
+
+  meta = with lib; {
+    description = "Toolkit for molecular simulation using high performance GPU code";
+    homepage = "https://openmm.org/";
+    license = with licenses; [ gpl3Plus lgpl3Plus mit ];
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/plumed/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/plumed/default.nix
new file mode 100644
index 000000000000..b825c8270d62
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/plumed/default.nix
@@ -0,0 +1,34 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, blas
+}:
+
+assert !blas.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "plumed";
+  version = "2.9.0";
+
+  src = fetchFromGitHub {
+    owner = "plumed";
+    repo = "plumed2";
+    rev = "v${version}";
+    hash = "sha256-yL+59f908IhbxGIylI1ydi1BPZwAapjK/vP4/h5gcHk=";
+  };
+
+  postPatch = ''
+    patchShebangs .
+  '';
+
+  buildInputs = [ blas ];
+
+  enableParallelBuilding = true;
+
+  meta = with lib; {
+    description = "Molecular metadynamics library";
+    homepage = "https://github.com/plumed/plumed2";
+    license = licenses.lgpl3Only;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
new file mode 100644
index 000000000000..57139f8bcd00
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
@@ -0,0 +1,46 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, gfortran
+, cmake
+, mctc-lib
+, mstore
+, toml-f
+, blas
+}:
+
+assert !blas.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "simple-dftd3";
+  version = "0.7.0";
+
+  src = fetchFromGitHub {
+    owner = "dftd3";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-5OvmMgjD8ujjKHkuw4NT8hEXKh5YPxuBl/Mu6g2/KIA=";
+  };
+
+  nativeBuildInputs = [ cmake gfortran ];
+
+  buildInputs = [ mctc-lib mstore toml-f blas ];
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/s-dftd3.pc \
+      --replace "''${prefix}/" ""
+  '';
+
+  doCheck = true;
+  preCheck = ''
+    export OMP_NUM_THREADS=2
+  '';
+
+  meta = with lib; {
+    description = "Reimplementation of the DFT-D3 program";
+    license = with licenses; [ lgpl3Only gpl3Only ];
+    homepage = "https://github.com/dftd3/simple-dftd3";
+    platforms = [ "x86_64-linux" ];
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/0001-fix-multicharge-dep-needed-for-static-compilation.patch b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/0001-fix-multicharge-dep-needed-for-static-compilation.patch
new file mode 100644
index 000000000000..d2d84f42e09f
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/0001-fix-multicharge-dep-needed-for-static-compilation.patch
@@ -0,0 +1,31 @@
+From 1885a2349102742e33c5c97a8ab4bcacc032fc70 Mon Sep 17 00:00:00 2001
+From: Ryan Swart <ryan@talosystems.com>
+Date: Thu, 30 Mar 2023 15:50:23 +0800
+Subject: [PATCH] fix: multicharge dep needed for static compilation
+
+---
+ config/meson.build | 8 ++++++++
+ 1 file changed, 8 insertions(+)
+
+diff --git a/config/meson.build b/config/meson.build
+index 4f76160..629fa5e 100644
+--- a/config/meson.build
++++ b/config/meson.build
+@@ -136,6 +136,14 @@ sdftd3_dep = dependency(
+ )
+ lib_deps += sdftd3_dep
+ 
++# Create multicharge library as subproject
++multicharge_dep = dependency(
++  'multicharge',
++  fallback: ['multicharge'],
++  default_options: ['default_library=static', 'api=false', 'python=false'],
++)
++lib_deps += multicharge_dep
++
+ # Create TOML Fortran as subproject
+ tomlf_dep = dependency(
+   'toml-f',
+-- 
+2.39.2
+
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix
new file mode 100644
index 000000000000..0f05315b9d88
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix
@@ -0,0 +1,59 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, gfortran
+, blas
+, lapack
+, mctc-lib
+, mstore
+, toml-f
+, multicharge
+, dftd4
+, simple-dftd3
+}:
+
+assert !blas.isILP64 && !lapack.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "tblite";
+  version = "0.3.0";
+
+  src = fetchFromGitHub {
+    owner = "tblite";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-R7CAFG/x55k5Ieslxeq+DWq1wPip4cI+Yvn1cBbeVNs=";
+  };
+
+  nativeBuildInputs = [ cmake gfortran ];
+
+  buildInputs = [
+    blas
+    lapack
+    mctc-lib
+    mstore
+    toml-f
+    multicharge
+    dftd4
+    simple-dftd3
+  ];
+
+  doCheck = true;
+  preCheck = ''
+    export OMP_NUM_THREADS=2
+  '';
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/${pname}.pc \
+      --replace "''${prefix}" ""
+  '';
+
+  meta = with lib; {
+    description = "Light-weight tight-binding framework";
+    license = with licenses; [ gpl3Plus lgpl3Plus ];
+    homepage = "https://github.com/tblite/tblite";
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix
new file mode 100644
index 000000000000..f19c3377b178
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix
@@ -0,0 +1,58 @@
+{ buildPythonPackage
+, meson
+, ninja
+, pkg-config
+, tblite
+, numpy
+, simple-dftd3
+, cffi
+, gfortran
+, blas
+, lapack
+, mctc-lib
+, mstore
+, toml-f
+, multicharge
+, dftd4
+}:
+
+buildPythonPackage {
+  inherit (tblite) pname version src meta;
+
+  nativeBuildInputs = [
+    tblite
+    meson
+    ninja
+    pkg-config
+    gfortran
+    mctc-lib
+  ];
+
+  buildInputs = [
+    tblite
+    simple-dftd3
+    blas
+    lapack
+    mctc-lib
+    mstore
+    toml-f
+    multicharge
+    dftd4
+  ];
+
+  propagatedBuildInputs = [ tblite simple-dftd3 cffi numpy ];
+
+  # Add multicharge to the meson deps; otherwise we get missing mod_multicharge errors
+  patches = [ ./0001-fix-multicharge-dep-needed-for-static-compilation.patch ];
+
+  format = "other";
+  pythonImportsCheck = [ "tblite" "tblite.interface" ];
+  configurePhase = ''
+    runHook preConfigure
+
+    meson setup build -Dpython=true --prefix=$out
+    cd build
+
+    runHook postConfigure
+  '';
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/electronics/qcsxcad/default.nix b/nixpkgs/pkgs/development/libraries/science/electronics/qcsxcad/default.nix
index a20f6973384a..6ac453aec2c0 100644
--- a/nixpkgs/pkgs/development/libraries/science/electronics/qcsxcad/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/electronics/qcsxcad/default.nix
@@ -10,13 +10,13 @@
 
 mkDerivation {
   pname = "qcsxcad";
-  version = "unstable-2020-01-04";
+  version = "unstable-2023-01-06";
 
   src = fetchFromGitHub {
     owner = "thliebig";
     repo = "QCSXCAD";
-    rev = "0dabbaf2bc1190adec300871cf309791af842c8e";
-    sha256 = "11kbh0mxbdfh7s5azqin3i2alic5ihmdfj0jwgnrhlpjk4cbf9rn";
+    rev = "1cde9d560a5000f4c24c249d2dd5ccda12de38b6";
+    hash = "sha256-kc9Vnx6jGiQC2K88ZH00b61D/DbWxAIZZwYCsINqtrY=";
   };
 
   outputs = [ "out" "dev" ];
diff --git a/nixpkgs/pkgs/development/libraries/science/math/amd-blis/default.nix b/nixpkgs/pkgs/development/libraries/science/math/amd-blis/default.nix
index f04087302825..962e8e8e6ace 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/amd-blis/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/amd-blis/default.nix
@@ -16,7 +16,7 @@
 }:
 
 let
-  threadingSuffix = if withOpenMP then "-mt" else "";
+  threadingSuffix = lib.optionalString withOpenMP "-mt";
   blasIntSize = if blas64 then "64" else "32";
 in stdenv.mkDerivation rec {
   pname = "amd-blis";
diff --git a/nixpkgs/pkgs/development/libraries/science/math/arpack/default.nix b/nixpkgs/pkgs/development/libraries/science/math/arpack/default.nix
index 2413a0a25cfe..a418df7050eb 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/arpack/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/arpack/default.nix
@@ -1,5 +1,13 @@
 { lib, stdenv, fetchFromGitHub, fetchpatch, cmake
-, gfortran, blas, lapack, eigen }:
+, gfortran, blas, lapack, eigen
+, useMpi ? false
+, mpi
+, openssh
+}:
+
+# MPI version can only be built with LP64 interface.
+# See https://github.com/opencollab/arpack-ng#readme
+assert useMpi -> !blas.isILP64;
 
 stdenv.mkDerivation rec {
   pname = "arpack";
@@ -27,13 +35,16 @@ stdenv.mkDerivation rec {
     blas
     lapack
     eigen
-  ];
+  ] ++ lib.optional useMpi mpi;
+
+  nativeCheckInputs = lib.optional useMpi openssh;
 
   doCheck = true;
 
   cmakeFlags = [
     "-DBUILD_SHARED_LIBS=ON"
     "-DINTERFACE64=${if blas.isILP64 then "1" else "0"}"
+    "-DMPI=${if useMpi then "ON" else "OFF"}"
   ];
 
   preCheck = ''
@@ -45,9 +56,7 @@ stdenv.mkDerivation rec {
     install_name_tool -change libblas.dylib ${blas}/lib/libblas.dylib $out/lib/libarpack.dylib
   '';
 
-  # disable stackprotector on aarch64-darwin for now
-  # https://github.com/NixOS/nixpkgs/issues/127608
-  hardeningDisable = lib.optionals (stdenv.isAarch64 && stdenv.isDarwin) [ "stackprotector" ];
+  passthru = { inherit (blas) isILP64; };
 
   meta = {
     homepage = "https://github.com/opencollab/arpack-ng";
diff --git a/nixpkgs/pkgs/development/libraries/science/math/blas/default.nix b/nixpkgs/pkgs/development/libraries/science/math/blas/default.nix
index acb737836c0d..ed899a02aa78 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/blas/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/blas/default.nix
@@ -1,15 +1,15 @@
 { lib, stdenv, fetchurl, cmake, gfortran
-# Wether to build with ILP64 interface
+# Whether to build with ILP64 interface
 , blas64 ? false
 }:
 
 stdenv.mkDerivation rec {
   pname = "blas";
-  version = "3.10.0";
+  version = "3.11.0";
 
   src = fetchurl {
     url = "http://www.netlib.org/blas/${pname}-${version}.tgz";
-    sha256 = "sha256-LjYNmcm9yEB6YYiMQKqFP7QhlCDruCZNtIbLiGBGirM=";
+    sha256 = "sha256-LZ/e59NhlU/uUyEApQ5gKCbJzBFT+M0Fe6pl7VfpAoM=";
   };
 
   passthru = { inherit blas64; };
diff --git a/nixpkgs/pkgs/development/libraries/science/math/bonmin/default.nix b/nixpkgs/pkgs/development/libraries/science/math/bonmin/default.nix
index 9526a6250184..7f494b245c30 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/bonmin/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/bonmin/default.nix
@@ -47,5 +47,7 @@ stdenv.mkDerivation rec {
     license = licenses.epl10;
     platforms = platforms.unix;
     maintainers = with maintainers; [ aanderse ];
+    # never built on aarch64-darwin, x86_64-darwin since first introduction in nixpkgs
+    broken = stdenv.isDarwin;
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/brial/default.nix b/nixpkgs/pkgs/development/libraries/science/math/brial/default.nix
index 142641398f56..6ec28ba1c226 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/brial/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/brial/default.nix
@@ -8,14 +8,14 @@
 }:
 
 stdenv.mkDerivation rec {
-  version = "1.2.11";
+  version = "1.2.12";
   pname = "brial";
 
   src = fetchFromGitHub {
     owner = "BRiAl";
     repo = "BRiAl";
     rev = version;
-    sha256 = "sha256-GkaeBggOCiIWNBZoIaCvAcqGDRc/whTOqPZbGpAxWIk=";
+    sha256 = "sha256-y6nlqRBJRWohGDAKe/F37qBP1SgtFHR1HD+erFJReOM=";
   };
 
   # FIXME package boost-test and enable checks
diff --git a/nixpkgs/pkgs/development/libraries/science/math/clblast/default.nix b/nixpkgs/pkgs/development/libraries/science/math/clblast/default.nix
new file mode 100644
index 000000000000..281076caba9f
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/clblast/default.nix
@@ -0,0 +1,44 @@
+{ lib
+, stdenv
+, fetchFromGitHub
+, cmake
+, ninja
+, opencl-headers
+, ocl-icd
+}:
+
+stdenv.mkDerivation rec {
+  pname = "clblast";
+  version = "1.6.0";
+
+  src = fetchFromGitHub {
+    owner = "CNugteren";
+    repo = "CLBlast";
+    rev = version;
+    hash = "sha256-eRwSfP6p0+9yql7TiXZsExRMcnnBLXXW2hh1JliYU2I=";
+  };
+
+  nativeBuildInputs = [
+    cmake
+    ninja
+  ];
+
+  buildInputs = [
+    opencl-headers
+    ocl-icd
+  ];
+
+  cmakeFlags = [
+    # https://github.com/NixOS/nixpkgs/issues/144170
+    "-DCMAKE_INSTALL_INCLUDEDIR=include"
+    "-DCMAKE_INSTALL_LIBDIR=lib"
+  ];
+
+  meta = with lib; {
+    description = "The tuned OpenCL BLAS library";
+    homepage = "https://github.com/CNugteren/CLBlast";
+    license = licenses.asl20;
+    maintainers = with maintainers; [ Tungsten842 ];
+    platforms = platforms.linux;
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/cliquer/default.nix b/nixpkgs/pkgs/development/libraries/science/math/cliquer/default.nix
index fd89ede1efb9..55a1b9dcb4c9 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/cliquer/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/cliquer/default.nix
@@ -17,7 +17,7 @@ stdenv.mkDerivation rec {
 
   doCheck = true;
 
-  buildInputs = [
+  nativeBuildInputs = [
     autoreconfHook
   ];
 
diff --git a/nixpkgs/pkgs/development/libraries/science/math/clmagma/default.nix b/nixpkgs/pkgs/development/libraries/science/math/clmagma/default.nix
index fe9fc540902d..c5efbb757df8 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/clmagma/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/clmagma/default.nix
@@ -1,7 +1,5 @@
 { lib, stdenv, fetchurl, gfortran, opencl-headers, clblas, ocl-icd, mkl, intel-ocl }:
 
-with lib;
-
 let
   incfile = builtins.toFile "make.inc.custom" ''
     CC        = g++
diff --git a/nixpkgs/pkgs/development/libraries/science/math/coin-utils/default.nix b/nixpkgs/pkgs/development/libraries/science/math/coin-utils/default.nix
new file mode 100644
index 000000000000..6cb7666e5688
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/coin-utils/default.nix
@@ -0,0 +1,22 @@
+{ lib, stdenv, fetchFromGitHub, pkg-config }:
+
+stdenv.mkDerivation rec {
+  version = "2.11.9";
+  pname = "coinutils";
+
+  src = fetchFromGitHub {
+    owner = "coin-or";
+    repo = "CoinUtils";
+    rev = "releases/${version}";
+    hash = "sha256-DgHVbcXd36WW6JQbiq1MUHAiKLs8CTau87rs0T76sGs=";
+  };
+
+  doCheck = true;
+
+  meta = with lib; {
+    license = licenses.epl20;
+    homepage = "https://github.com/coin-or/CoinUtils";
+    description = "Collection of classes and helper functions that are generally useful to multiple COIN-OR projects";
+    maintainers = with maintainers; [ tmarkus ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/cudnn/extension.nix b/nixpkgs/pkgs/development/libraries/science/math/cudnn/extension.nix
index 265e09f436ab..d4c83428980d 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/cudnn/extension.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/cudnn/extension.nix
@@ -1,116 +1,66 @@
+# Support matrix can be found at
+# https://docs.nvidia.com/deeplearning/cudnn/archives/cudnn-880/support-matrix/index.html
+# Type aliases
+# Release = {
+#   version: String,
+#   minCudaVersion: String,
+#   maxCudaVersion: String,
+#   url: String,
+#   hash: String,
+# }
 final: prev: let
-
   inherit (final) callPackage;
-  inherit (prev) cudatoolkit cudaVersion lib pkgs;
+  inherit (prev) cudaVersion;
+  inherit (prev.lib) attrsets lists versions;
+  inherit (prev.lib.strings) replaceStrings versionAtLeast versionOlder;
 
-  ### CuDNN
+  # Compute versioned attribute name to be used in this package set
+  # Patch version changes should not break the build, so we only use major and minor
+  # computeName :: String -> String
+  computeName = version: "cudnn_${replaceStrings ["."] ["_"] (versions.majorMinor version)}";
 
-  buildCuDnnPackage = args:
-    let
-      useCudatoolkitRunfile = lib.versionOlder cudaVersion "11.3.999";
-    in
-    callPackage ./generic.nix { inherit useCudatoolkitRunfile; } args;
+  # Check whether a CUDNN release supports our CUDA version
+  # Thankfully we're able to do lexicographic comparison on the version strings
+  # isSupported :: Release -> Bool
+  isSupported = release:
+    versionAtLeast cudaVersion release.minCudaVersion
+    && versionAtLeast release.maxCudaVersion cudaVersion;
+
+  # useCudatoolkitRunfile :: Bool
+  useCudatoolkitRunfile = versionOlder cudaVersion "11.3.999";
 
-  toUnderscore = str: lib.replaceStrings ["."] ["_"] str;
+  # buildCuDnnPackage :: Release -> Derivation
+  buildCuDnnPackage = callPackage ./generic.nix {inherit useCudatoolkitRunfile;};
 
-  majorMinorPatch = str: lib.concatStringsSep "." (lib.take 3 (lib.splitVersion str));
+  # Reverse the list to have the latest release first
+  # cudnnReleases :: List Release
+  cudnnReleases = lists.reverseList (builtins.import ./releases.nix);
 
-  cuDnnPackages = with lib; let
-    # Check whether a file is supported for our cuda version
-    isSupported = fileData: elem cudaVersion fileData.supportedCudaVersions;
-    # Return the first file that is supported. In practice there should only ever be one anyway.
-    supportedFile = files: findFirst isSupported null files;
-    # Supported versions with versions as keys and file as value
-    supportedVersions = filterAttrs (version: file: file !=null ) (mapAttrs (version: files: supportedFile files) cuDnnVersions);
-    # Compute versioned attribute name to be used in this package set
-    computeName = version: "cudnn_${toUnderscore version}";
-    # Add all supported builds as attributes
-    allBuilds = mapAttrs' (version: file: nameValuePair (computeName version) (buildCuDnnPackage (removeAttrs file ["fileVersion"]))) supportedVersions;
-    # Set the default attributes, e.g. cudnn = cudnn_8_3_1;
-    defaultBuild = { "cudnn" = allBuilds.${computeName cuDnnDefaultVersion}; };
-  in allBuilds // defaultBuild;
+  # Check whether a CUDNN release supports our CUDA version
+  # supportedReleases :: List Release
+  supportedReleases = builtins.filter isSupported cudnnReleases;
 
-  cuDnnVersions = let
-    urlPrefix = "https://developer.download.nvidia.com/compute/redist/cudnn";
-  in {
-    "7.4.2" = [
-      rec {
-        fileVersion = "10.0";
-        fullVersion = "7.4.2.24";
-        sha256 = "18ys0apiz9afid2s6lvy9qbyi8g66aimb2a7ikl1f3dm09mciprf";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/cudnn-10.0-linux-x64-v${fullVersion}.tgz";
-        supportedCudaVersions = [ "10.0" ];
-      }
-    ];
-    "7.6.5" = [
-      rec {
-        fileVersion = "10.0";
-        fullVersion = "7.6.5.32";
-        hash = "sha256-KDVeOV8LK5OsLIO2E2CzW6bNA3fkTni+GXtrYbS0kro=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/cudnn-${cudatoolkit.majorVersion}-linux-x64-v${fullVersion}.tgz";
-        supportedCudaVersions = [ "10.0" ];
-      }
-      rec {
-        fileVersion = "10.1";
-        fullVersion = "7.6.5.32";
-        hash = "sha256-fq7IA5osMKsLx1jTA1iHZ2k972v0myJIWiwAvy4TbLM=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/cudnn-${cudatoolkit.majorVersion}-linux-x64-v${fullVersion}.tgz";
-        supportedCudaVersions = [ "10.1" ];
-      }
-      rec {
-        fileVersion = "10.2";
-        fullVersion = "7.6.5.32";
-        hash = "sha256-fq7IA5osMKsLx1jTA1iHZ2k972v0myJIWiwAvy4TbLN=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/cudnn-${cudatoolkit.majorVersion}-linux-x64-v${fullVersion}.tgz";
-        supportedCudaVersions = [ "10.2" ];
-      }
-    ];
-    "8.1.1" = [
-      rec {
-        fileVersion = "10.2";
-        fullVersion = "8.1.1.33";
-        hash = "sha256-Kkp7mabpv6aQ6xm7QeSVU/KnpJGls6v8rpAOFmxbbr0=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/cudnn-${fileVersion}-linux-x64-v${fullVersion}.tgz";
-        supportedCudaVersions = [ "10.2" ];
-      }
-      rec {
-        fileVersion = "11.2";
-        fullVersion = "8.1.1.33";
-        hash = "sha256-mKh4TpKGLyABjSDCgbMNSgzZUfk2lPZDPM9K6cUCumo=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/cudnn-${fileVersion}-linux-x64-v${fullVersion}.tgz";
-        supportedCudaVersions = [ "11.2" ];
-      }
-    ];
-    "8.3.2" = [
-      rec {
-        fileVersion = "10.2";
-        fullVersion = "8.3.2.44";
-        hash = "sha256-1vVu+cqM+PketzIQumw9ykm6REbBZhv6/lXB7EC2aaw=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/local_installers/${fileVersion}/cudnn-linux-x86_64-${fullVersion}_cuda${fileVersion}-archive.tar.xz";
-        supportedCudaVersions = [ "10.2" ];
-      }
-      rec {
-        fileVersion = "11.5";
-        fullVersion = "8.3.2.44";
-        hash = "sha256-VQCVPAjF5dHd3P2iNPnvvdzb5DpTsm3AqCxyP6FwxFc=";
-        url = "${urlPrefix}/v${majorMinorPatch fullVersion}/local_installers/${fileVersion}/cudnn-linux-x86_64-${fullVersion}_cuda${fileVersion}-archive.tar.xz";
-        supportedCudaVersions = [ "11.0" "11.1" "11.2" "11.3" "11.4" "11.4" "11.5" "11.6" ];
-      }
-    ];
+  # Function to transform our releases into build attributes
+  # toBuildAttrs :: Release -> { name: String, value: Derivation }
+  toBuildAttrs = release: {
+    name = computeName release.version;
+    value = buildCuDnnPackage release;
   };
 
-  # Default attributes
-  cuDnnDefaultVersion = {
-    "10.0" = "7.4.2";
-    "10.1" = "7.6.5";
-    "10.2" = "8.3.2";
-    "11.0" = "8.3.2";
-    "11.1" = "8.3.2";
-    "11.2" = "8.3.2";
-    "11.3" = "8.3.2";
-    "11.4" = "8.3.2";
-    "11.5" = "8.3.2";
-    "11.6" = "8.3.2";
-  }.${cudaVersion};
+  # Add all supported builds as attributes
+  # allBuilds :: AttrSet String Derivation
+  allBuilds = builtins.listToAttrs (builtins.map toBuildAttrs supportedReleases);
+
+  defaultBuild = attrsets.optionalAttrs (supportedReleases != []) {
+    cudnn = let
+      # The latest release is the first element of the list and will be our default choice
+      # latestReleaseName :: String
+      latestReleaseName = computeName (builtins.head supportedReleases).version;
+    in
+      allBuilds.${latestReleaseName};
+  };
 
-in cuDnnPackages
+  # builds :: AttrSet String Derivation
+  builds = allBuilds // defaultBuild;
+in
+  builds
diff --git a/nixpkgs/pkgs/development/libraries/science/math/cudnn/generic.nix b/nixpkgs/pkgs/development/libraries/science/math/cudnn/generic.nix
index 731b5588f887..cdfa924b2242 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/cudnn/generic.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/cudnn/generic.nix
@@ -1,116 +1,130 @@
-{ stdenv
-, lib
-, zlib
-, useCudatoolkitRunfile ? false
-, cudaVersion
-, cudaMajorVersion
-, cudatoolkit # if cuda>=11: only used for .cc
-, libcublas ? null # cuda <11 doesn't ship redist packages
-, autoPatchelfHook
-, autoAddOpenGLRunpathHook
-, fetchurl
-, # The distributed version of CUDNN includes both dynamically liked .so files,
+{ stdenv,
+  backendStdenv,
+  lib,
+  zlib,
+  useCudatoolkitRunfile ? false,
+  cudaVersion,
+  cudaMajorVersion,
+  cudatoolkit, # For cuda < 11
+  libcublas ? null, # cuda <11 doesn't ship redist packages
+  autoPatchelfHook,
+  autoAddOpenGLRunpathHook,
+  fetchurl,
+  # The distributed version of CUDNN includes both dynamically liked .so files,
   # as well as statically linked .a files.  However, CUDNN is quite large
   # (multiple gigabytes), so you can save some space in your nix store by
   # removing the statically linked libraries if you are not using them.
   #
   # Setting this to true removes the statically linked .a files.
   # Setting this to false keeps these statically linked .a files.
-  removeStatic ? false
+  removeStatic ? false,
+}: {
+  version,
+  url,
+  hash,
+  minCudaVersion,
+  maxCudaVersion,
 }:
+assert useCudatoolkitRunfile || (libcublas != null); let
+  inherit (lib) lists strings trivial versions;
+
+  # majorMinorPatch :: String -> String
+  majorMinorPatch = (trivial.flip trivial.pipe) [
+    (versions.splitVersion)
+    (lists.take 3)
+    (strings.concatStringsSep ".")
+  ];
 
-{ fullVersion
-, url
-, hash ? null
-, sha256 ? null
-, supportedCudaVersions ? [ ]
-}:
-
-assert (hash != null) || (sha256 != null);
-
-assert useCudatoolkitRunfile || (libcublas != null);
-
-let
-  inherit (cudatoolkit) cc;
-
-  majorMinorPatch = version: lib.concatStringsSep "." (lib.take 3 (lib.splitVersion version));
-  version = majorMinorPatch fullVersion;
+  # versionTriple :: String
+  # Version with three components: major.minor.patch
+  versionTriple = majorMinorPatch version;
 
+  # cudatoolkit_root :: Derivation
   cudatoolkit_root =
     if useCudatoolkitRunfile
     then cudatoolkit
     else libcublas;
 in
-stdenv.mkDerivation {
-  pname = "cudatoolkit-${cudaMajorVersion}-cudnn";
-  inherit version;
-
-  src = fetchurl {
-    inherit url hash sha256;
-  };
-
-  # Check and normalize Runpath against DT_NEEDED using autoPatchelf.
-  # Prepend /run/opengl-driver/lib using addOpenGLRunpath for dlopen("libcudacuda.so")
-  nativeBuildInputs = [
-    autoPatchelfHook
-    autoAddOpenGLRunpathHook
-  ];
-
-  # Used by autoPatchelfHook
-  buildInputs = [
-    cc.cc.lib # libstdc++
-    zlib
-    cudatoolkit_root
-  ];
-
-  # We used to patch Runpath here, but now we use autoPatchelfHook
-  #
-  # Note also that version <=8.3.0 contained a subdirectory "lib64/" but in
-  # version 8.3.2 it seems to have been renamed to simply "lib/".
-  installPhase = ''
-    runHook preInstall
-
-    mkdir -p $out
-    cp -a include $out/include
-    [ -d "lib/" ] && cp -a lib $out/lib
-    [ -d "lib64/" ] && cp -a lib64 $out/lib64
-  '' + lib.optionalString removeStatic ''
-    rm -f $out/lib/*.a
-    rm -f $out/lib64/*.a
-  '' + ''
-    runHook postInstall
-  '';
-
-  # Without --add-needed autoPatchelf forgets $ORIGIN on cuda>=8.0.5.
-  postFixup = lib.optionalString (lib.versionAtLeast fullVersion "8.0.5") ''
-    patchelf $out/lib/libcudnn.so --add-needed libcudnn_cnn_infer.so
-  '';
-
-  passthru = {
-    inherit useCudatoolkitRunfile;
-
-    cudatoolkit = lib.warn ''
-      cudnn.cudatoolkit passthru attribute is deprecated;
-      if your derivation uses cudnn directly, it should probably consume cudaPackages instead
-    ''
-      cudatoolkit;
-
-    majorVersion = lib.versions.major version;
-  };
-
-  meta = with lib; {
-    # Check that the cudatoolkit version satisfies our min/max constraints (both
-    # inclusive). We mark the package as broken if it fails to satisfies the
-    # official version constraints (as recorded in default.nix). In some cases
-    # you _may_ be able to smudge version constraints, just know that you're
-    # embarking into unknown and unsupported territory when doing so.
-    broken = !(elem cudaVersion supportedCudaVersions);
-    description = "NVIDIA CUDA Deep Neural Network library (cuDNN)";
-    homepage = "https://developer.nvidia.com/cudnn";
-    sourceProvenance = with sourceTypes; [ binaryNativeCode ];
-    # TODO: consider marking unfreRedistributable when not using runfile
-    license = licenses.unfree;
-    platforms = [ "x86_64-linux" ];
-    maintainers = with maintainers; [ mdaiter samuela ];
-  };
-}
+  backendStdenv.mkDerivation {
+    pname = "cudatoolkit-${cudaMajorVersion}-cudnn";
+    version = versionTriple;
+
+    src = fetchurl {
+      inherit url hash;
+    };
+
+    # Check and normalize Runpath against DT_NEEDED using autoPatchelf.
+    # Prepend /run/opengl-driver/lib using addOpenGLRunpath for dlopen("libcudacuda.so")
+    nativeBuildInputs = [
+      autoPatchelfHook
+      autoAddOpenGLRunpathHook
+    ];
+
+    # Used by autoPatchelfHook
+    buildInputs = [
+      # Note this libstdc++ isn't from the (possibly older) nvcc-compatible
+      # stdenv, but from the (newer) stdenv that the rest of nixpkgs uses
+      stdenv.cc.cc.lib
+
+      zlib
+      cudatoolkit_root
+    ];
+
+    # We used to patch Runpath here, but now we use autoPatchelfHook
+    #
+    # Note also that version <=8.3.0 contained a subdirectory "lib64/" but in
+    # version 8.3.2 it seems to have been renamed to simply "lib/".
+    installPhase =
+      ''
+        runHook preInstall
+
+        mkdir -p $out
+        cp -a include $out/include
+        [ -d "lib/" ] && cp -a lib $out/lib
+        [ -d "lib64/" ] && cp -a lib64 $out/lib64
+      ''
+      + strings.optionalString removeStatic ''
+        rm -f $out/lib/*.a
+        rm -f $out/lib64/*.a
+      ''
+      + ''
+        runHook postInstall
+      '';
+
+    # Without --add-needed autoPatchelf forgets $ORIGIN on cuda>=8.0.5.
+    postFixup = strings.optionalString (strings.versionAtLeast versionTriple "8.0.5") ''
+      patchelf $out/lib/libcudnn.so --add-needed libcudnn_cnn_infer.so
+    '';
+
+    passthru = {
+      inherit useCudatoolkitRunfile;
+
+      cudatoolkit =
+        trivial.warn
+        ''
+          cudnn.cudatoolkit passthru attribute is deprecated;
+          if your derivation uses cudnn directly, it should probably consume cudaPackages instead
+        ''
+        cudatoolkit;
+
+      majorVersion = versions.major versionTriple;
+    };
+
+    meta = with lib; {
+      # Check that the cudatoolkit version satisfies our min/max constraints (both
+      # inclusive). We mark the package as broken if it fails to satisfies the
+      # official version constraints (as recorded in default.nix). In some cases
+      # you _may_ be able to smudge version constraints, just know that you're
+      # embarking into unknown and unsupported territory when doing so.
+      broken =
+        strings.versionOlder cudaVersion minCudaVersion
+        || strings.versionOlder maxCudaVersion cudaVersion;
+      description = "NVIDIA CUDA Deep Neural Network library (cuDNN)";
+      homepage = "https://developer.nvidia.com/cudnn";
+      sourceProvenance = with sourceTypes; [binaryNativeCode];
+      # TODO: consider marking unfreRedistributable when not using runfile
+      license = licenses.unfree;
+      platforms = ["x86_64-linux"];
+      maintainers = with maintainers; [mdaiter samuela];
+    };
+  }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/cudnn/releases.nix b/nixpkgs/pkgs/development/libraries/science/math/cudnn/releases.nix
new file mode 100644
index 000000000000..b82dd78178c0
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/cudnn/releases.nix
@@ -0,0 +1,185 @@
+# NOTE: Check https://docs.nvidia.com/deeplearning/cudnn/archives/index.html for support matrices.
+[
+  {
+    version = "7.4.2.24";
+    minCudaVersion = "10.0";
+    maxCudaVersion = "10.0";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v7.4.2/cudnn-10.0-linux-x64-v7.4.2.24.tgz";
+    hash = "sha256-Lt/IagK1DRfojEeJVaMy5qHoF05+U6NFi06lH68C2qM=";
+  }
+  {
+    version = "7.6.5.32";
+    minCudaVersion = "10.0";
+    maxCudaVersion = "10.0";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v7.6.5/cudnn-10.0-linux-x64-v7.6.5.32.tgz";
+    hash = "sha256-KDVeOV8LK5OsLIO2E2CzW6bNA3fkTni+GXtrYbS0kro=";
+  }
+  {
+    version = "7.6.5.32";
+    minCudaVersion = "10.1";
+    maxCudaVersion = "10.1";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v7.6.5/cudnn-10.1-linux-x64-v7.6.5.32.tgz";
+    hash = "sha256-fq7IA5osMKsLx1jTA1iHZ2k972v0myJIWiwAvy4TbLM=";
+  }
+  {
+    version = "7.6.5.32";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v7.6.5/cudnn-10.2-linux-x64-v7.6.5.32.tgz";
+    hash = "sha256-fq7IA5osMKsLx1jTA1iHZ2k972v0myJIWiwAvy4TbLN=";
+  }
+  {
+    version = "8.0.5.39";
+    minCudaVersion = "10.1";
+    maxCudaVersion = "10.1";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.0.5/cudnn-10.1-linux-x64-v8.0.5.39.tgz";
+    hash = "sha256-kJCElSmIlrM6qVBjo0cfk8NmJ9esAcF9w211xl7qSgA=";
+  }
+  {
+    version = "8.0.5.39";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.0.5/cudnn-10.2-linux-x64-v8.0.5.39.tgz";
+    hash = "sha256-IfhMBcZ78eyFnnfDjM1b8VSWT6HDCPRJlZvkw1bjgvM=";
+  }
+  {
+    version = "8.0.5.39";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.0";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.0.5/cudnn-11.0-linux-x64-v8.0.5.39.tgz";
+    hash = "sha256-ThbueJXetKixwZS4ErpJWG730mkCBRQB03F1EYmKm3M=";
+  }
+  {
+    version = "8.0.5.39";
+    minCudaVersion = "11.1";
+    maxCudaVersion = "11.1";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.0.5/cudnn-11.1-linux-x64-v8.0.5.39.tgz";
+    hash = "sha256-HQRr+nk5navMb2yxUHkYdUQ5RC6gyp4Pvs3URvmwDM4=";
+  }
+  {
+    version = "8.1.1.33";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.1.1/cudnn-10.2-linux-x64-v8.1.1.33.tgz";
+    hash = "sha256-Kkp7mabpv6aQ6xm7QeSVU/KnpJGls6v8rpAOFmxbbr0=";
+  }
+  {
+    version = "8.1.1.33";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.2";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.1.1/cudnn-11.2-linux-x64-v8.1.1.33.tgz";
+    hash = "sha256-mKh4TpKGLyABjSDCgbMNSgzZUfk2lPZDPM9K6cUCumo=";
+  }
+  {
+    version = "8.2.4.15";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.2.4/cudnn-10.2-linux-x64-v8.2.4.15.tgz";
+    hash = "sha256-0jyUoxFaHHcRamwSfZF1+/WfcjNkN08mo0aZB18yIvE=";
+  }
+  {
+    version = "8.2.4.15";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.4";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.2.4/cudnn-11.4-linux-x64-v8.2.4.15.tgz";
+    hash = "sha256-Dl0t+JC5ln76ZhnaQhMQ2XMjVlp58FoajLm3Fluq0Nc=";
+  }
+  {
+    version = "8.3.3.40";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.3.3/local_installers/10.2/cudnn-linux-x86_64-8.3.3.40_cuda10.2-archive.tar.xz";
+    hash = "sha256-2FVPKzLmKV1fyPOsJeaPlAWLAYyAHaucFD42gS+JJqs=";
+  }
+  {
+    version = "8.3.3.40";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.6";
+    url = "https://developer.download.nvidia.com/compute/redist/cudnn/v8.3.3/local_installers/11.5/cudnn-linux-x86_64-8.3.3.40_cuda11.5-archive.tar.xz";
+    hash = "sha256-6r6Wx1zwPqT1N5iU2RTx+K4UzqsSGYnoSwg22Sf7dzE=";
+  }
+  {
+    version = "8.4.1.50";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.4.1.50_cuda10.2-archive.tar.xz";
+    hash = "sha256-I88qMmU6lIiLVmaPuX7TTbisgTav839mssxUo3lQNjg=";
+  }
+  {
+    version = "8.4.1.50";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.7";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.4.1.50_cuda11.6-archive.tar.xz";
+    hash = "sha256-7JbSN22B/KQr3T1MPXBambKaBlurV/kgVhx2PinGfQE=";
+  }
+  {
+    version = "8.5.0.96";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.5.0.96_cuda10-archive.tar.xz";
+    hash = "sha256-1mzhbbzR40WKkHnQLtJHhg0vYgf7G8a0OBcCwIOkJjM=";
+  }
+  {
+    version = "8.5.0.96";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.7";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.5.0.96_cuda11-archive.tar.xz";
+    hash = "sha256-VFSm/ZTwCHKMqumtrZk8ToXvNjAuJrzkO+p9RYpee20=";
+  }
+  {
+    version = "8.6.0.163";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.6.0.163_cuda10-archive.tar.xz";
+    hash = "sha256-t4sr/GrFqqdxu2VhaJQk5K1Xm/0lU4chXG8hVL09R9k=";
+  }
+  {
+    version = "8.6.0.163";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.8";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.6.0.163_cuda11-archive.tar.xz";
+    hash = "sha256-u8OW30cpTGV+3AnGAGdNYIyxv8gLgtz0VHBgwhcRFZ4=";
+  }
+  {
+    version = "8.7.0.84";
+    minCudaVersion = "10.2";
+    maxCudaVersion = "10.2";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.7.0.84_cuda10-archive.tar.xz";
+    hash = "sha256-bZhaqc8+GbPV2FQvvbbufd8VnEJgvfkICc2N3/gitRg=";
+  }
+  {
+    version = "8.7.0.84";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.8";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.7.0.84_cuda11-archive.tar.xz";
+    hash = "sha256-l2xMunIzyXrnQAavq1Fyl2MAukD1slCiH4z3H1nJ920=";
+  }
+  {
+    version = "8.8.1.3";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.8";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.8.1.3_cuda11-archive.tar.xz";
+    hash = "sha256-r3WEyuDMVSS1kT7wjCm6YVQRPGDrCjegWQqRtRWoqPk=";
+  }
+  {
+    version = "8.8.1.3";
+    minCudaVersion = "12.0";
+    maxCudaVersion = "12.0";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.8.1.3_cuda12-archive.tar.xz";
+    hash = "sha256-edd6dpx+cXWrx7XC7VxJQUjAYYqGQThyLIh/lcYjd3w=";
+  }
+  {
+    version = "8.9.1.23";
+    minCudaVersion = "11.0";
+    maxCudaVersion = "11.8";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.9.1.23_cuda11-archive.tar.xz";
+    hash = "sha256-ptmIcmfihZDJ25XOZcvpamaN8DUjOLfTN+BTLe0zSFw=";
+  }
+  {
+    version = "8.9.1.23";
+    minCudaVersion = "12.0";
+    maxCudaVersion = "12.1";
+    url = "https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-x86_64/cudnn-linux-x86_64-8.9.1.23_cuda12-archive.tar.xz";
+    hash = "sha256-NRY8XFQr4MURc4sn4lI1GTy+7cXg4AbkSxzerxki6D4=";
+  }
+]
diff --git a/nixpkgs/pkgs/development/libraries/science/math/cutensor/generic.nix b/nixpkgs/pkgs/development/libraries/science/math/cutensor/generic.nix
index e4cbf0ab7bf7..c957fcdd99d4 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/cutensor/generic.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/cutensor/generic.nix
@@ -13,6 +13,7 @@
 let
   mostOfVersion = builtins.concatStringsSep "."
     (lib.take 3 (lib.versions.splitVersion version));
+  platform = "${stdenv.hostPlatform.parsed.kernel.name}-${stdenv.hostPlatform.parsed.cpu.name}";
 in
 
 stdenv.mkDerivation {
@@ -20,7 +21,9 @@ stdenv.mkDerivation {
   inherit version;
 
   src = fetchurl {
-    url = "https://developer.download.nvidia.com/compute/cutensor/${mostOfVersion}/local_installers/libcutensor-${stdenv.hostPlatform.parsed.kernel.name}-${stdenv.hostPlatform.parsed.cpu.name}-${version}.tar.gz";
+    url = if lib.versionOlder mostOfVersion "1.3.3"
+      then "https://developer.download.nvidia.com/compute/cutensor/${mostOfVersion}/local_installers/libcutensor-${platform}-${version}.tar.gz"
+      else "https://developer.download.nvidia.com/compute/cutensor/redist/libcutensor/${platform}/libcutensor-${platform}-${version}-archive.tar.xz";
     inherit hash;
   };
 
diff --git a/nixpkgs/pkgs/development/libraries/science/math/dbcsr/default.nix b/nixpkgs/pkgs/development/libraries/science/math/dbcsr/default.nix
new file mode 100644
index 000000000000..2175d1343856
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/dbcsr/default.nix
@@ -0,0 +1,81 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, pkg-config
+, fypp
+, gfortran
+, blas
+, lapack
+, python3
+, libxsmm
+, mpi
+, openssh
+}:
+
+stdenv.mkDerivation rec {
+  pname = "dbcsr";
+  version = "2.5.0";
+
+  src = fetchFromGitHub {
+    owner = "cp2k";
+    repo = "dbcsr";
+    rev = "v${version}";
+    hash = "sha256-GGClK3heGE3zUM0R+u58vRdAK+xWzaqdCHaMIDerHSI=";
+  };
+
+  postPatch = ''
+    patchShebangs .
+
+    # Force build of shared library, otherwise just static.
+    substituteInPlace src/CMakeLists.txt \
+      --replace 'add_library(dbcsr ''${DBCSR_SRCS})' 'add_library(dbcsr SHARED ''${DBCSR_SRCS})' \
+      --replace 'add_library(dbcsr_c ''${DBCSR_C_SRCS})' 'add_library(dbcsr_c SHARED ''${DBCSR_C_SRCS})'
+
+    # Avoid calling the fypp wrapper script with python again. The nix wrapper took care of that.
+    substituteInPlace cmake/fypp-sources.cmake \
+      --replace 'COMMAND ''${Python_EXECUTABLE} ''${FYPP_EXECUTABLE}' 'COMMAND ''${FYPP_EXECUTABLE}'
+  '';
+
+  nativeBuildInputs = [
+    gfortran
+    python3
+    cmake
+    pkg-config
+    fypp
+  ];
+
+  buildInputs = [ blas lapack libxsmm ];
+
+  propagatedBuildInputs = [ mpi ];
+
+  preConfigure = ''
+    export PKG_CONFIG_PATH=${libxsmm}/lib
+  '';
+
+  cmakeFlags = [
+    "-DUSE_OPENMP=ON"
+    "-DUSE_SMM=libxsmm"
+    "-DWITH_C_API=ON"
+    "-DBUILD_TESTING=ON"
+    "-DTEST_OMP_THREADS=2"
+    "-DTEST_MPI_RANKS=2"
+    "-DENABLE_SHARED=ON"
+    "-DUSE_MPI=ON"
+  ];
+
+  checkInputs = [ openssh ];
+
+  doCheck = true;
+  preCheck = ''
+    export HYDRA_IFACE=lo  # Fix to make mpich run in a sandbox
+    export OMPI_MCA_rmaps_base_oversubscribe=1
+  '';
+
+  meta = with lib; {
+    description = "Distributed Block Compressed Sparse Row matrix library";
+    license = licenses.gpl2Only;
+    homepage = "https://github.com/cp2k/dbcsr";
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/faiss/default.nix b/nixpkgs/pkgs/development/libraries/science/math/faiss/default.nix
index f2d5e29f6a4a..d67f31375e7d 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/faiss/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/faiss/default.nix
@@ -1,32 +1,59 @@
 { lib
 , config
 , fetchFromGitHub
+, symlinkJoin
 , stdenv
 , cmake
-, cudaPackages
+, cudaPackages ? { }
 , cudaSupport ? config.cudaSupport or false
-, cudaCapabilities ? [ "60" "70" "80" "86" ]
+, nvidia-thrust
+, useThrustSourceBuild ? true
 , pythonSupport ? true
 , pythonPackages
+, llvmPackages
+, boost
 , blas
 , swig
 , addOpenGLRunpath
 , optLevel ? let
     optLevels =
-      lib.optional stdenv.hostPlatform.avx2Support "avx2"
-      ++ lib.optional stdenv.hostPlatform.sse4_1Support "sse4"
+      lib.optionals stdenv.hostPlatform.avx2Support [ "avx2" ]
+      ++ lib.optionals stdenv.hostPlatform.sse4_1Support [ "sse4" ]
       ++ [ "generic" ];
   in
   # Choose the maximum available optimization level
   builtins.head optLevels
 , faiss # To run demos in the tests
 , runCommand
-}:
+}@inputs:
+
+assert cudaSupport -> nvidia-thrust.cudaSupport;
 
 let
   pname = "faiss";
-  version = "1.7.2";
-  inherit (cudaPackages) cudatoolkit;
+  version = "1.7.4";
+
+  inherit (cudaPackages) cudaFlags backendStdenv;
+  inherit (cudaFlags) cudaCapabilities dropDot;
+
+  stdenv = if cudaSupport then backendStdenv else inputs.stdenv;
+
+  cudaJoined = symlinkJoin {
+    name = "cuda-packages-unsplit";
+    paths = with cudaPackages; [
+      cuda_cudart # cuda_runtime.h
+      libcublas
+      libcurand
+    ] ++ lib.optionals useThrustSourceBuild [
+      nvidia-thrust
+    ] ++ lib.optionals (!useThrustSourceBuild) [
+      cuda_cccl
+    ] ++ lib.optionals (cudaPackages ? cuda_profiler_api) [
+      cuda_profiler_api # cuda_profiler_api.h
+    ] ++ lib.optionals (!(cudaPackages ? cuda_profiler_api)) [
+      cuda_nvprof # cuda_profiler_api.h
+    ];
+  };
 in
 stdenv.mkDerivation {
   inherit pname version;
@@ -37,7 +64,7 @@ stdenv.mkDerivation {
     owner = "facebookresearch";
     repo = pname;
     rev = "v${version}";
-    hash = "sha256-Tklf5AaqJbOs9qtBZVcxXPLAp+K54EViZLSOvEhmswg=";
+    hash = "sha256-WSce9X6sLZmGM5F0ZkK54VqpIy8u1VB0e9/l78co29M=";
   };
 
   buildInputs = [
@@ -47,6 +74,10 @@ stdenv.mkDerivation {
     pythonPackages.setuptools
     pythonPackages.pip
     pythonPackages.wheel
+  ] ++ lib.optionals stdenv.cc.isClang [
+    llvmPackages.openmp
+  ] ++ lib.optionals cudaSupport [
+    cudaJoined
   ];
 
   propagatedBuildInputs = lib.optionals pythonSupport [
@@ -54,9 +85,9 @@ stdenv.mkDerivation {
   ];
 
   nativeBuildInputs = [ cmake ] ++ lib.optionals cudaSupport [
-    cudatoolkit
+    cudaPackages.cuda_nvcc
     addOpenGLRunpath
-  ] ++ lib.optional pythonSupport [
+  ] ++ lib.optionals pythonSupport [
     pythonPackages.python
   ];
 
@@ -69,7 +100,8 @@ stdenv.mkDerivation {
     "-DFAISS_ENABLE_PYTHON=${if pythonSupport then "ON" else "OFF"}"
     "-DFAISS_OPT_LEVEL=${optLevel}"
   ] ++ lib.optionals cudaSupport [
-    "-DCMAKE_CUDA_ARCHITECTURES=${lib.concatStringsSep ";" cudaCapabilities}"
+    "-DCMAKE_CUDA_ARCHITECTURES=${builtins.concatStringsSep ";" (map dropDot cudaCapabilities)}"
+    "-DCUDAToolkit_INCLUDE_DIR=${cudaJoined}/include"
   ];
 
 
@@ -98,6 +130,11 @@ stdenv.mkDerivation {
     addOpenGLRunpath $demos/bin/*
   '';
 
+  # Need buildPythonPackage for this one
+  # pythonImportsCheck = [
+  #   "faiss"
+  # ];
+
   passthru = {
     inherit cudaSupport cudaPackages pythonSupport;
 
diff --git a/nixpkgs/pkgs/development/libraries/science/math/faiss/tests.nix b/nixpkgs/pkgs/development/libraries/science/math/faiss/tests.nix
index fcf57a8bc9fd..858a980bfeaf 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/faiss/tests.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/faiss/tests.nix
@@ -11,6 +11,8 @@ buildPythonPackage {
   pname = "faiss-pytest-suite";
   inherit (faiss) version;
 
+  format = "other";
+
   src = "${faiss.src}/tests";
 
   dontBuild = true;
@@ -21,7 +23,12 @@ buildPythonPackage {
     "test_contrib.py"
   ];
 
-  checkInputs = [
+  disabledTests = [
+    # https://github.com/facebookresearch/faiss/issues/2836
+    "test_update_codebooks_with_double"
+  ];
+
+  nativeCheckInputs = [
     faiss
     pytestCheckHook
     scipy
diff --git a/nixpkgs/pkgs/development/libraries/science/math/ipopt/default.nix b/nixpkgs/pkgs/development/libraries/science/math/ipopt/default.nix
index 325a6b82a6f9..9b26b352cdad 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/ipopt/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/ipopt/default.nix
@@ -5,20 +5,20 @@
 , blas
 , lapack
 , gfortran
-, enableAMPL ? stdenv.isLinux, libamplsolver
+, enableAMPL ? true, libamplsolver
 }:
 
 assert (!blas.isILP64) && (!lapack.isILP64);
 
 stdenv.mkDerivation rec {
   pname = "ipopt";
-  version = "3.14.5";
+  version = "3.14.12";
 
   src = fetchFromGitHub {
     owner = "coin-or";
     repo = "Ipopt";
     rev = "releases/${version}";
-    sha256 = "sha256-eqOacZGuuGAjWMs2H6RntQ+WJmGTi+EqydHUQXEpY54=";
+    sha256 = "sha256-cyV3tgmZz5AExxxdGJ12r+PPXn7v2AEhxb9icBxolS8=";
   };
 
   CXXDEFS = [ "-DHAVE_RAND" "-DHAVE_CSTRING" "-DHAVE_CSTDIO" ];
diff --git a/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix b/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix
index c3ff2aeebfb4..b5e2f4b80d3b 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix
@@ -44,7 +44,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "IT++ is a C++ library of mathematical, signal processing and communication classes and functions";
-    homepage = "http://itpp.sourceforge.net/";
+    homepage = "https://itpp.sourceforge.net/";
     license = licenses.gpl3;
     platforms = platforms.unix;
     maintainers = with maintainers; [ andrew-d ];
diff --git a/nixpkgs/pkgs/development/libraries/science/math/latte-integrale/default.nix b/nixpkgs/pkgs/development/libraries/science/math/latte-integrale/default.nix
new file mode 100644
index 000000000000..7eb485974ff2
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/latte-integrale/default.nix
@@ -0,0 +1,41 @@
+{ lib
+, stdenv
+, fetchurl
+, fetchpatch
+, gmp
+, ntl
+, cddlib
+}:
+
+stdenv.mkDerivation (finalAttrs: {
+  pname = "latte-integrale";
+  version = "1.7.6";
+
+  src = fetchurl {
+    url = "https://github.com/latte-int/latte/releases/download/version_${lib.replaceStrings ["."] ["_"] finalAttrs.version}/latte-int-${finalAttrs.version}.tar.gz";
+    sha256 = "sha256-AGwQ6+XVv9ybFZy6YmSkQyhh/nY84F/oIWJKt9P8IXA=";
+  };
+
+  patches = [
+    # C++17 compat
+    (fetchpatch {
+      url = "https://github.com/latte-int/latte/commit/6dbf7f07d5c9e1f3afe793f782d191d4465088ae.patch";
+      excludes = [ "code/latte/sqlite/IntegrationDB.h" ];
+      sha256 = "sha256-i7c11y54OLuJ0m7PBnhEoAzJzxC842JU7A6TOtTz06k=";
+    })
+  ];
+
+  buildInputs = [
+    gmp
+    ntl
+    cddlib
+  ];
+
+  meta = {
+    description = "Software for counting lattice points and integration over convex polytopes";
+    homepage = "https://www.math.ucdavis.edu/~latte/";
+    license = lib.licenses.gpl2;
+    maintainers = with lib.maintainers; [ amesgen ];
+    platforms = lib.platforms.unix;
+  };
+})
diff --git a/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/default.nix b/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/default.nix
index bcbde5f61359..c0bc89b492ea 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/default.nix
@@ -1,4 +1,4 @@
-{ lib, stdenv, fetchurl, fetchpatch }:
+{ lib, stdenv, substitute, fetchurl, fetchpatch }:
 
 stdenv.mkDerivation rec {
   pname = "libamplsolver";
@@ -10,20 +10,22 @@ stdenv.mkDerivation rec {
   };
 
   patches = [
-    # Debian provides a patch to build a shared library
-    (fetchpatch {
-      url = "https://sources.debian.org/data/main/liba/libamplsolver/0~20190702-2/debian/patches/fix-makefile-shared-lib.patch";
-      sha256 = "sha256-96qwj3fLugzbsfxguKMce13cUo7XGC4VUE7xKcJs42Y=";
+    (substitute {
+      src = ./libamplsolver-sharedlib.patch;
+      replacements = [ "--replace" "@sharedlibext@" "${stdenv.hostPlatform.extensions.sharedLibrary}" ];
     })
   ];
 
   installPhase = ''
     runHook preInstall
-    pushd sys.`uname -m`.`uname -s`
+    pushd sys.$(uname -m).$(uname -s)
     install -D -m 0644 *.h -t $out/include
-    install -D -m 0644 *.so* -t $out/lib
+    install -D -m 0644 *${stdenv.hostPlatform.extensions.sharedLibrary}* -t $out/lib
     install -D -m 0644 *.a -t $out/lib
     popd
+  '' + lib.optionalString stdenv.isDarwin ''
+    install_name_tool -id $out/lib/libamplsolver.dylib $out/lib/libamplsolver.dylib
+  '' + ''
     runHook postInstall
   '';
 
@@ -31,7 +33,7 @@ stdenv.mkDerivation rec {
     description = "A library of routines that help solvers work with AMPL";
     homepage = "https://ampl.com/netlib/ampl/";
     license = [ licenses.mit ];
-    platforms = platforms.linux;
+    platforms = platforms.unix;
     maintainers = with maintainers; [ aanderse ];
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/libamplsolver-sharedlib.patch b/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/libamplsolver-sharedlib.patch
new file mode 100644
index 000000000000..f2af2910e89c
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/libamplsolver/libamplsolver-sharedlib.patch
@@ -0,0 +1,39 @@
+Authors: Andrei Rozanski and Grace Dinh
+Last-Update: 2022-08-23
+Description: fix makefile.u in order to get libamplsover.so (Linux) or libamplsolver.dylib (Mac)
+
+--- a/makefile.u
++++ b/makefile.u
+
+@@ -26,8 +26,9 @@
+
+ .SUFFIXES: .c .o
+ CC = cc
+-CFLAGS = -O
++CFLAGS := $(CFLAGS) -pipe -DASL_BUILD -fPIC -DPIC
+ SHELL=/bin/sh
++OFILES=$(addsuffix .o,$(basename $(a)))
+
+ # Add -DNO_RUSAGE to the CFLAGS assignment if your system
+ # lacks getrusage().  This only matters for compiling xectim.c.
+@@ -86,7 +87,7 @@
+ .c.o:
+ 	$(CC) -c $(CFLAGS) $*.c
+
+-all: arith.h stdio1.h amplsolver.a funcadd0.o
++all: arith.h stdio1.h amplsolver.a funcadd0.o libamplsolver@sharedlibext@
+
+ a = \
+ 	asldate.c \
+@@ -189,6 +190,11 @@
+ # search path, e.g.
+ #	exec true
+ # or just comment out the ranlib invocation above.
++libamplsolver.so: $(OFILES)
++	$(CC) $^ -shared  -Wl,-soname,libamplsolver.so.0 $(LDFLAGS) -o $@.0
++	ln -s $@.0 $@
++libamplsolver.dylib: amplsolver.a
++	$(CC) -fpic -shared -Wl,-all_load amplsolver.a $(LDFLAGS) -o libamplsolver.dylib
+
+ Aslh = arith.h asl.h funcadd.h stdio1.h
+ auxinfo.o libnamsave.o: funcadd.h stdio1.h
\ No newline at end of file
diff --git a/nixpkgs/pkgs/development/libraries/science/math/libbraiding/default.nix b/nixpkgs/pkgs/development/libraries/science/math/libbraiding/default.nix
index cc5d3baf3442..2ee2e831f6e6 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/libbraiding/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/libbraiding/default.nix
@@ -4,14 +4,14 @@
 }:
 
 stdenv.mkDerivation rec {
-  version = "1.1";
+  version = "1.2";
   pname = "libbraiding";
 
   src = fetchFromGitHub {
     owner = "miguelmarco";
     repo = "libbraiding";
     rev = version;
-    sha256 = "1n1j58y9jaiv0ya0y4fpfb3b05wv0h6k2babpnk2zifjw26xr366";
+    sha256 = "sha256-cgg6rvlOvFqGjgbw6i7QXS+tqvfFd1MkPCEjnW/FyFs=";
   };
 
   nativeBuildInputs = [
diff --git a/nixpkgs/pkgs/development/libraries/science/math/liblapack/default.nix b/nixpkgs/pkgs/development/libraries/science/math/liblapack/default.nix
index 05470f61dd3e..3bf16057f835 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/liblapack/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/liblapack/default.nix
@@ -6,17 +6,18 @@
 , shared ? true
 # Compile with ILP64 interface
 , blas64 ? false
+, testers
 }:
 
-stdenv.mkDerivation rec {
+stdenv.mkDerivation (finalAttrs: {
   pname = "liblapack";
-  version = "3.10.1";
+  version = "3.11";
 
   src = fetchFromGitHub {
     owner = "Reference-LAPACK";
     repo = "lapack";
-    rev = "v${version}";
-    sha256 = "07wwydw72gl4fhfqcyc8sbz7ynm0i23pggyfqn0r9a29g7qh8bqs";
+    rev = "v${finalAttrs.version}";
+    sha256 = "sha256-AYD78u70y8cY19hmM/aDjQEzxO8u9lPWhCFxRe5cqXI=";
   };
 
   nativeBuildInputs = [ gfortran cmake ];
@@ -30,13 +31,17 @@ stdenv.mkDerivation rec {
     "-DCBLAS=ON"
     "-DBUILD_TESTING=ON"
   ] ++ lib.optional shared "-DBUILD_SHARED_LIBS=ON"
-    ++ lib.optional blas64 "-DBUILD_INDEX64=ON";
+    ++ lib.optional blas64 "-DBUILD_INDEX64=ON"
+    # Tries to run host platform binaries during the build
+    # Will likely be disabled by default in 3.12, see:
+    # https://github.com/Reference-LAPACK/lapack/issues/757
+    ++ lib.optional (!stdenv.buildPlatform.canExecute stdenv.hostPlatform) "-DTEST_FORTRAN_COMPILER=OFF";
 
   passthru = { inherit blas64; };
 
   postInstall =  let
     canonicalExtension = if stdenv.hostPlatform.isLinux
-                       then "${stdenv.hostPlatform.extensions.sharedLibrary}.${lib.versions.major version}"
+                       then "${stdenv.hostPlatform.extensions.sharedLibrary}.${lib.versions.major finalAttrs.version}"
                        else stdenv.hostPlatform.extensions.sharedLibrary;
   in lib.optionalString blas64 ''
     ln -s $out/lib/liblapack64${canonicalExtension} $out/lib/liblapack${canonicalExtension}
@@ -61,15 +66,18 @@ stdenv.mkDerivation rec {
 
   checkPhase = ''
     runHook preCheck
-    ctest ${ctestArgs}
+    ctest ${finalAttrs.ctestArgs}
     runHook postCheck
   '';
 
+  passthru.tests.pkg-config = testers.testMetaPkgConfig finalAttrs.finalPackage;
+
   meta = with lib; {
     description = "Linear Algebra PACKage";
     homepage = "http://www.netlib.org/lapack/";
     maintainers = with maintainers; [ markuskowa ];
     license = licenses.bsd3;
+    pkgConfigModules = [ "lapack" ];
     platforms = platforms.all;
   };
-}
+})
diff --git a/nixpkgs/pkgs/development/libraries/science/math/libtorch/bin.nix b/nixpkgs/pkgs/development/libraries/science/math/libtorch/bin.nix
index b00de428c8d4..a47d8260714a 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/libtorch/bin.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/libtorch/bin.nix
@@ -17,7 +17,7 @@ let
   # this derivation. However, we should ensure on version bumps
   # that the CUDA toolkit for `passthru.tests` is still
   # up-to-date.
-  version = "1.10.0";
+  version = "2.0.0";
   device = if cudaSupport then "cuda" else "cpu";
   srcs = import ./binary-hashes.nix version;
   unavailable = throw "libtorch is not available for this platform";
@@ -93,6 +93,7 @@ in stdenv.mkDerivation {
   meta = with lib; {
     description = "C++ API of the PyTorch machine learning framework";
     homepage = "https://pytorch.org/";
+    sourceProvenance = with sourceTypes; [ binaryNativeCode ];
     # Includes CUDA and Intel MKL, but redistributions of the binary are not limited.
     # https://docs.nvidia.com/cuda/eula/index.html
     # https://www.intel.com/content/www/us/en/developer/articles/license/onemkl-license-faq.html
diff --git a/nixpkgs/pkgs/development/libraries/science/math/libtorch/binary-hashes.nix b/nixpkgs/pkgs/development/libraries/science/math/libtorch/binary-hashes.nix
index 156515f6eb51..83533d89b1e8 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/libtorch/binary-hashes.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/libtorch/binary-hashes.nix
@@ -1,19 +1,19 @@
 version : builtins.getAttr version {
-  "1.10.0" = {
+  "2.0.0" = {
     x86_64-darwin-cpu = {
-      name = "libtorch-macos-1.10.0.zip";
-      url = "https://download.pytorch.org/libtorch/cpu/libtorch-macos-1.10.0.zip";
-      hash = "sha256-HSisxHs466c6XwvZEbkV/1kVNBzJOy3uVw9Bh497Vk8=";
+      name = "libtorch-macos-2.0.0.zip";
+      url = "https://download.pytorch.org/libtorch/cpu/libtorch-macos-2.0.0.zip";
+      hash = "sha256-u6y5IeYoiOC0yQ/k6JCChDs9lXWccLxUorgR8L62lkM=";
     };
     x86_64-linux-cpu = {
-      name = "libtorch-cxx11-abi-shared-with-deps-1.10.0-cpu.zip";
-      url = "https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-1.10.0%2Bcpu.zip";
-      hash = "sha256-wAtA+AZx3HjaFbsrbyfkSXjYM0BP8H5HwCgyHbgJXJ0=";
+      name = "libtorch-cxx11-abi-shared-with-deps-2.0.0-cpu.zip";
+      url = "https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.0.0%2Bcpu.zip";
+      hash = "sha256-BoZQ2MC1CDVVGfX3SHC3mEpLGWO8XK7AcLcHJXDsXuc=";
     };
     x86_64-linux-cuda = {
-      name = "libtorch-cxx11-abi-shared-with-deps-1.10.0-cu113.zip";
-      url = "https://download.pytorch.org/libtorch/cu113/libtorch-cxx11-abi-shared-with-deps-1.10.0%2Bcu113.zip";
-      hash = "sha256-jPylK4j0V8SEQ8cZU+O22P7kQ28wanIB0GkBzRGyTj8=";
+      name = "libtorch-cxx11-abi-shared-with-deps-2.0.0-cu118.zip";
+      url = "https://download.pytorch.org/libtorch/cu118/libtorch-cxx11-abi-shared-with-deps-2.0.0%2Bcu118.zip";
+      hash = "sha256-Dpw9kQdA1NI9EOT7JBKwQP4wZT6lizcnKKTQ8WVJCZc=";
     };
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/libtorch/prefetch.sh b/nixpkgs/pkgs/development/libraries/science/math/libtorch/prefetch.sh
index 26b24198e235..5c6d60ae8b20 100755
--- a/nixpkgs/pkgs/development/libraries/science/math/libtorch/prefetch.sh
+++ b/nixpkgs/pkgs/development/libraries/science/math/libtorch/prefetch.sh
@@ -6,7 +6,7 @@ set -eou pipefail
 version=$1
 
 bucket="https://download.pytorch.org/libtorch"
-CUDA_VERSION=cu113
+CUDA_VERSION=cu116
 
 url_and_key_list=(
   "x86_64-darwin-cpu $bucket/cpu/libtorch-macos-${version}.zip libtorch-macos-${version}.zip"
diff --git a/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix b/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix
index 2a46e22b60d2..214f27046527 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix
@@ -35,5 +35,7 @@ stdenv.mkDerivation rec {
     license = licenses.gpl2Plus;
     maintainers = teams.sage.members;
     platforms = platforms.unix;
+    # never built on aarch64-darwin since first introduction in nixpkgs
+    broken = stdenv.isDarwin && stdenv.isAarch64;
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/magma/default.nix b/nixpkgs/pkgs/development/libraries/science/math/magma/default.nix
index 05d7d4fa1842..9eb410595974 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/magma/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/magma/default.nix
@@ -1,76 +1,53 @@
-{ lib, stdenv, fetchurl, cmake, gfortran, ninja, cudaPackages, libpthreadstubs, lapack, blas }:
+args@{ callPackage
+, lib
+, ...
+}:
+
+# Type aliases
+# Release = {
+#  version: String
+#  hash: String
+#  supportedGpuTargets: List String
+# }
 
 let
-  inherit (cudaPackages) cudatoolkit;
-in
-
-assert let majorIs = lib.versions.major cudatoolkit.version;
-       in majorIs == "9" || majorIs == "10" || majorIs == "11";
-
-let
-  version = "2.6.2";
-
-  # We define a specific set of CUDA compute capabilities here,
-  # because CUDA 11 does not support compute capability 3.0. Also,
-  # we use it to enable newer capabilities that are not enabled
-  # by magma by default. The list of supported architectures
-  # can be found in magma's top-level CMakeLists.txt.
-  cudaCapabilities = rec {
-    cuda9 = [
-      "Kepler"  # 3.0, 3.5
-      "Maxwell" # 5.0
-      "Pascal"  # 6.0
-      "Volta"   # 7.0
-    ];
-
-    cuda10 = [
-      "Turing"  # 7.5
-    ] ++ cuda9;
-
-    cuda11 = [
-      "sm_35"   # sm_30 is not supported by CUDA 11
-      "Maxwell" # 5.0
-      "Pascal"  # 6.0
-      "Volta"   # 7.0
-      "Turing"  # 7.5
-      "Ampere"  # 8.0
-    ];
+  inherit (lib) lists strings trivial;
+
+  computeName = version: "magma_${strings.replaceStrings [ "." ] [ "_" ] version}";
+
+  # buildMagmaPackage :: Release -> Derivation
+  buildMagmaPackage = magmaRelease: callPackage ./generic.nix (
+    (builtins.removeAttrs args [ "callPackage" ]) // {
+      inherit magmaRelease;
+    }
+  );
+
+  # Reverse the list to have the latest release first
+  # magmaReleases :: List Release
+  magmaReleases = lists.reverseList (builtins.import ./releases.nix);
+
+  # The latest release is the first element of the list and will be our default choice
+  # latestReleaseName :: String
+  latestReleaseName = computeName (builtins.head magmaReleases).version;
+
+  # Function to transform our releases into build attributes
+  # toBuildAttrs :: Release -> { name: String, value: Derivation }
+  toBuildAttrs = release: {
+    name = computeName release.version;
+    value = buildMagmaPackage release;
   };
 
-  capabilityString = lib.strings.concatStringsSep ","
-    cudaCapabilities."cuda${lib.versions.major cudatoolkit.version}";
+  # Add all supported builds as attributes
+  # allBuilds :: AttrSet String Derivation
+  allBuilds = builtins.listToAttrs (lists.map toBuildAttrs magmaReleases);
 
-in stdenv.mkDerivation {
-  pname = "magma";
-  inherit version;
-  src = fetchurl {
-    url = "https://icl.cs.utk.edu/projectsfiles/magma/downloads/magma-${version}.tar.gz";
-    hash = "sha256-dbVU2rAJA+LRC5cskT5Q5/iMvGLzrkMrWghsfk7aCnE=";
-    name = "magma-${version}.tar.gz";
-  };
+  # The latest release will be our default build
+  # defaultBuild :: AttrSet String Derivation
+  defaultBuild.magma = allBuilds.${latestReleaseName};
 
-  nativeBuildInputs = [ gfortran cmake ninja ];
-
-  buildInputs = [ cudatoolkit libpthreadstubs lapack blas ];
-
-  cmakeFlags = [ "-DGPU_TARGET=${capabilityString}" ];
-
-  doCheck = false;
-
-  preConfigure = ''
-    export CC=${cudatoolkit.cc}/bin/gcc CXX=${cudatoolkit.cc}/bin/g++
-  '';
-
-  enableParallelBuilding=true;
-  buildFlags = [ "magma" "magma_sparse" ];
+  # builds :: AttrSet String Derivation
+  builds = allBuilds // defaultBuild;
+in
 
-  meta = with lib; {
-    description = "Matrix Algebra on GPU and Multicore Architectures";
-    license = licenses.bsd3;
-    homepage = "http://icl.cs.utk.edu/magma/index.html";
-    platforms = platforms.unix;
-    maintainers = with maintainers; [ tbenst ];
-  };
+builds
 
-  passthru.cudatoolkit = cudatoolkit;
-}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/magma/generic.nix b/nixpkgs/pkgs/development/libraries/science/math/magma/generic.nix
new file mode 100644
index 000000000000..49efda96829c
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/magma/generic.nix
@@ -0,0 +1,180 @@
+# Type aliases
+# Release = {
+#  version: String
+#  hash: String
+#  supportedGpuTargets: List String
+# }
+
+{ blas
+, cmake
+, cudaPackages
+  # FIXME: cuda being unfree means ofborg won't eval "magma".
+  # respecting config.cudaSupport -> false by default
+  # -> ofborg eval -> throws "no GPU targets specified".
+  # Probably should delete everything but "magma-cuda" and "magma-hip"
+  # from all-packages.nix
+, cudaSupport ? true
+, fetchurl
+, gfortran
+, cudaCapabilities ? cudaPackages.cudaFlags.cudaCapabilities
+, gpuTargets ? [ ] # Non-CUDA targets, that is HIP
+, hip
+, hipblas
+, hipsparse
+, lapack
+, lib
+, libpthreadstubs
+, magmaRelease
+, ninja
+, openmp
+, rocmSupport ? false
+, stdenv
+, symlinkJoin
+}:
+
+
+let
+  inherit (lib) lists strings trivial;
+  inherit (cudaPackages) backendStdenv cudaFlags cudaVersion;
+  inherit (magmaRelease) version hash supportedGpuTargets;
+
+  # NOTE: The lists.subtractLists function is perhaps a bit unintuitive. It subtracts the elements
+  #   of the first list *from* the second list. That means:
+  #   lists.subtractLists a b = b - a
+
+  # For ROCm
+  # NOTE: The hip.gpuTargets are prefixed with "gfx" instead of "sm" like cudaFlags.realArches.
+  #   For some reason, Magma's CMakeLists.txt file does not handle the "gfx" prefix, so we must
+  #   remove it.
+  rocmArches = lists.map (x: strings.removePrefix "gfx" x) hip.gpuTargets;
+  supportedRocmArches = lists.intersectLists rocmArches supportedGpuTargets;
+  unsupportedRocmArches = lists.subtractLists supportedRocmArches rocmArches;
+
+  supportedCustomGpuTargets = lists.intersectLists gpuTargets supportedGpuTargets;
+  unsupportedCustomGpuTargets = lists.subtractLists supportedCustomGpuTargets gpuTargets;
+
+  # Use trivial.warnIf to print a warning if any unsupported GPU targets are specified.
+  gpuArchWarner = supported: unsupported:
+    trivial.throwIf (supported == [ ])
+      (
+        "No supported GPU targets specified. Requested GPU targets: "
+        + strings.concatStringsSep ", " unsupported
+      )
+      supported;
+
+  gpuTargetString = strings.concatStringsSep "," (
+    if gpuTargets != [ ] then
+    # If gpuTargets is specified, it always takes priority.
+      gpuArchWarner supportedCustomGpuTargets unsupportedCustomGpuTargets
+    else if rocmSupport then
+      gpuArchWarner supportedRocmArches unsupportedRocmArches
+    else if cudaSupport then
+      [ ] # It's important we pass explicit -DGPU_TARGET to reset magma's defaults
+    else
+      throw "No GPU targets specified"
+  );
+
+  # E.g. [ "80" "86" "90" ]
+  cudaArchitectures = (builtins.map cudaFlags.dropDot cudaCapabilities);
+
+  cudaArchitecturesString = strings.concatStringsSep ";" cudaArchitectures;
+  minArch =
+    let
+      minArch' = builtins.head (builtins.sort strings.versionOlder cudaArchitectures);
+    in
+    # "75" -> "750"  Cf. https://bitbucket.org/icl/magma/src/f4ec79e2c13a2347eff8a77a3be6f83bc2daec20/CMakeLists.txt#lines-273
+    "${minArch'}0";
+
+  cuda-common-redist = with cudaPackages; [
+    libcublas # cublas_v2.h
+    libcusparse # cusparse.h
+  ];
+
+  # Build-time dependencies
+  cuda-native-redist = symlinkJoin {
+    name = "cuda-native-redist-${cudaVersion}";
+    paths = with cudaPackages; [
+      cuda_cudart # cuda_runtime.h
+      cuda_nvcc
+    ] ++ lists.optionals (strings.versionOlder cudaVersion "11.8") [
+      cuda_nvprof # <cuda_profiler_api.h>
+    ] ++ lists.optionals (strings.versionAtLeast cudaVersion "11.8") [
+      cuda_profiler_api # <cuda_profiler_api.h>
+    ] ++ cuda-common-redist;
+  };
+
+  # Run-time dependencies
+  cuda-redist = symlinkJoin {
+    name = "cuda-redist-${cudaVersion}";
+    paths = cuda-common-redist;
+  };
+in
+
+assert (builtins.match "[^[:space:]]*" gpuTargetString) != null;
+
+stdenv.mkDerivation {
+  pname = "magma";
+  inherit version;
+
+  src = fetchurl {
+    name = "magma-${version}.tar.gz";
+    url = "https://icl.cs.utk.edu/projectsfiles/magma/downloads/magma-${version}.tar.gz";
+    inherit hash;
+  };
+
+  nativeBuildInputs = [
+    cmake
+    ninja
+    gfortran
+  ] ++ lists.optionals cudaSupport [
+    cuda-native-redist
+  ];
+
+  buildInputs = [
+    libpthreadstubs
+    lapack
+    blas
+  ] ++ lists.optionals cudaSupport [
+    cuda-redist
+  ] ++ lists.optionals rocmSupport [
+    hip
+    hipblas
+    hipsparse
+    openmp
+  ];
+
+  cmakeFlags = [
+    "-DGPU_TARGET=${gpuTargetString}"
+  ] ++ lists.optionals cudaSupport [
+    "-DCMAKE_CUDA_ARCHITECTURES=${cudaArchitecturesString}"
+    "-DMIN_ARCH=${minArch}" # Disarms magma's asserts
+    "-DCMAKE_C_COMPILER=${backendStdenv.cc}/bin/cc"
+    "-DCMAKE_CXX_COMPILER=${backendStdenv.cc}/bin/c++"
+    "-DMAGMA_ENABLE_CUDA=ON"
+  ] ++ lists.optionals rocmSupport [
+    "-DCMAKE_C_COMPILER=${hip}/bin/hipcc"
+    "-DCMAKE_CXX_COMPILER=${hip}/bin/hipcc"
+    "-DMAGMA_ENABLE_HIP=ON"
+  ];
+
+  buildFlags = [
+    "magma"
+    "magma_sparse"
+  ];
+
+  doCheck = false;
+
+  passthru = {
+    inherit cudaPackages cudaSupport;
+  };
+
+  meta = with lib; {
+    description = "Matrix Algebra on GPU and Multicore Architectures";
+    license = licenses.bsd3;
+    homepage = "http://icl.cs.utk.edu/magma/index.html";
+    platforms = platforms.unix;
+    maintainers = with maintainers; [ connorbaker ];
+    # CUDA and ROCm are mutually exclusive
+    broken = cudaSupport && rocmSupport || cudaSupport && strings.versionOlder cudaVersion "9";
+  };
+}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/magma/releases.nix b/nixpkgs/pkgs/development/libraries/science/math/magma/releases.nix
new file mode 100644
index 000000000000..029f418edce3
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/magma/releases.nix
@@ -0,0 +1,69 @@
+# NOTE: Order matters! Put the oldest version first, and the newest version last.
+# NOTE: Make sure the supportedGpuTargets are in order of oldest to newest.
+#   You can update the supportedGpuTargets by looking at the CMakeLists.txt file.
+#   HIP is here: https://bitbucket.org/icl/magma/src/f4ec79e2c13a2347eff8a77a3be6f83bc2daec20/CMakeLists.txt#lines-386
+#   CUDA works around magma's wrappers and uses FindCUDAToolkit directly
+[
+  {
+    version = "2.6.2";
+    hash = "sha256-dbVU2rAJA+LRC5cskT5Q5/iMvGLzrkMrWghsfk7aCnE=";
+    supportedGpuTargets = [
+      "700"
+      "701"
+      "702"
+      "703"
+      "704"
+      "705"
+      "801"
+      "802"
+      "803"
+      "805"
+      "810"
+      "900"
+      "902"
+      "904"
+      "906"
+      "908"
+      "909"
+      "90c"
+      "1010"
+      "1011"
+      "1012"
+      "1030"
+      "1031"
+      "1032"
+      "1033"
+    ];
+  }
+  {
+    version = "2.7.1";
+    hash = "sha256-2chxHAR6OMrhbv3nS+4uszMyF/0nEeHpuGBsu7SuGlA=";
+    supportedGpuTargets = [
+      "700"
+      "701"
+      "702"
+      "703"
+      "704"
+      "705"
+      "801"
+      "802"
+      "803"
+      "805"
+      "810"
+      "900"
+      "902"
+      "904"
+      "906"
+      "908"
+      "909"
+      "90c"
+      "1010"
+      "1011"
+      "1012"
+      "1030"
+      "1031"
+      "1032"
+      "1033"
+    ];
+  }
+]
diff --git a/nixpkgs/pkgs/development/libraries/science/math/mkl/default.nix b/nixpkgs/pkgs/development/libraries/science/math/mkl/default.nix
index dc68abe38c36..585f4c3a14e3 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/mkl/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/mkl/default.nix
@@ -4,7 +4,7 @@
 , stdenvNoCC
 , fetchurl
 , rpmextract
-, undmg
+, _7zz
 , darwin
 , validatePkgConfig
 , enableStatic ? stdenv.hostPlatform.isStatic
@@ -19,48 +19,47 @@ let
   # https://registrationcenter.intel.com/en/products/
   version = "${mklVersion}.${rel}";
 
-  # Darwin is pinned to 2019.3 because the DMG does not unpack; see here for details:
-  # https://github.com/matthewbauer/undmg/issues/4
-  mklVersion = if stdenvNoCC.isDarwin then "2019.3" else "2021.1.1";
-  rel = if stdenvNoCC.isDarwin then "199" else "52";
+  mklVersion = "2023.1.0";
+  rel = if stdenvNoCC.isDarwin then "43558" else "46342";
 
   # Intel openmp uses its own versioning.
-  openmpVersion = if stdenvNoCC.isDarwin then "19.0.3" else "19.1.3";
-  openmpRel = "189";
+  openmpVersion = "2023.1.0";
+  openmpRel = "46305";
 
   # Thread Building Blocks release.
-  tbbRel = "119";
+  tbbVersion = "2021.9.0";
+  tbbRel = "43484";
 
   shlibExt = stdenvNoCC.hostPlatform.extensions.sharedLibrary;
 
   oneapi-mkl = fetchurl {
     url = "https://yum.repos.intel.com/oneapi/intel-oneapi-mkl-${mklVersion}-${mklVersion}-${rel}.x86_64.rpm";
-    hash = "sha256-G2Y7iX3UN2YUJhxcMM2KmhONf0ls9owpGlOo8hHOfqA=";
+    hash = "sha256-BeI5zB0rrE6C21dezNc7/WSKmTWpjsZbpg0/y0Y87VQ=";
   };
 
   oneapi-mkl-common = fetchurl {
     url = "https://yum.repos.intel.com/oneapi/intel-oneapi-mkl-common-${mklVersion}-${mklVersion}-${rel}.noarch.rpm";
-    hash = "sha256-HrMt2OcPIRxM8EL8SPjYTyuHJnC7RhPFUrvLhRH+7vc=";
+    hash = "sha256-NjIqTeFppwjXFlPYHPHfZa/bWBiHJru3atC4fIMXN0w=";
   };
 
   oneapi-mkl-common-devel = fetchurl {
     url = "https://yum.repos.intel.com/oneapi/intel-oneapi-mkl-common-devel-${mklVersion}-${mklVersion}-${rel}.noarch.rpm";
-    hash = "sha256-XDE2WFJzEcpujFmO2AvqQdipZMvKB6/G+ksBe2sE438=";
+    hash = "sha256-GX19dlvBWRgwSOCmWcEOrnbmp4S2j0448fWpx+iPVWw=";
   };
 
   oneapi-mkl-devel = fetchurl {
     url = "https://yum.repos.intel.com/oneapi/intel-oneapi-mkl-devel-${mklVersion}-${mklVersion}-${rel}.x86_64.rpm";
-    hash = "sha256-GhUJZ0Vr/ZXp10maie29/5ryU7zzX3F++wRCuuFcE0s=";
+    hash = "sha256-F4XxtSPAjNaShEL/l44jJK+JdOOkYI19X/njRB6FkNw=";
   };
 
   oneapi-openmp = fetchurl {
     url = "https://yum.repos.intel.com/oneapi/intel-oneapi-openmp-${mklVersion}-${mklVersion}-${openmpRel}.x86_64.rpm";
-    hash = "sha256-yP2c4aQAFNRffjLoIZgWXLcNXbiez8smsgu2wXitefU=";
+    hash = "sha256-1SlkI01DxFvwGPBJ73phs86ka0SmCrniwiXQ9DJwIXw=";
   };
 
   oneapi-tbb = fetchurl {
-    url = "https://yum.repos.intel.com/oneapi/intel-oneapi-tbb-${mklVersion}-${mklVersion}-${tbbRel}.x86_64.rpm";
-    hash = "sha256-K1BvhGoGVU2Zwy5vg2ZvJWBrSdh5uQwo0znt5039X0A=";
+    url = "https://yum.repos.intel.com/oneapi/intel-oneapi-tbb-${tbbVersion}-${tbbVersion}-${tbbRel}.x86_64.rpm";
+    hash = "sha256-wIktdf1p1SS1KrnUlc8LPkm0r9dhZE6cQNr4ZKTWI6A=";
   };
 
 in stdenvNoCC.mkDerivation ({
@@ -69,16 +68,22 @@ in stdenvNoCC.mkDerivation ({
 
   dontUnpack = stdenvNoCC.isLinux;
 
+  unpackPhase = if stdenvNoCC.isDarwin then ''
+    7zz x $src
+  '' else null;
+
   nativeBuildInputs = [ validatePkgConfig ] ++ (if stdenvNoCC.isDarwin
     then
-      [ undmg darwin.cctools ]
+      [ _7zz darwin.cctools ]
     else
       [ rpmextract ]);
 
   buildPhase = if stdenvNoCC.isDarwin then ''
-    for f in Contents/Resources/pkg/*.tgz; do
-      tar xzvf $f
+    for f in bootstrapper.app/Contents/Resources/packages/*/cupPayload.cup; do
+      tar -xf $f
     done
+    mkdir -p opt/intel
+    mv _installdir opt/intel/oneapi
   '' else ''
     rpmextract ${oneapi-mkl}
     rpmextract ${oneapi-mkl-common}
@@ -88,32 +93,7 @@ in stdenvNoCC.mkDerivation ({
     rpmextract ${oneapi-tbb}
   '';
 
-  installPhase = if stdenvNoCC.isDarwin then ''
-    for f in $(find . -name 'mkl*.pc') ; do
-      bn=$(basename $f)
-      substituteInPlace $f \
-        --replace "prefix=<INSTALLDIR>/mkl" "prefix=$out" \
-        --replace $\{MKLROOT} "$out" \
-        --replace "lib/intel64_lin" "lib" \
-        --replace "lib/intel64" "lib"
-    done
-    for f in $(find opt/intel -name 'mkl*iomp.pc') ; do
-      substituteInPlace $f \
-        --replace "../compiler/lib" "lib"
-    done
-
-    mkdir -p $out/lib
-
-    cp -r compilers_and_libraries_${version}/mac/mkl/include $out/
-
-    cp -r compilers_and_libraries_${version}/licensing/mkl/en/license.txt $out/lib/
-    cp -r compilers_and_libraries_${version}/mac/compiler/lib/* $out/lib/
-    cp -r compilers_and_libraries_${version}/mac/mkl/lib/* $out/lib/
-    cp -r compilers_and_libraries_${version}/mac/tbb/lib/* $out/lib/
-
-    mkdir -p $out/lib/pkgconfig
-    cp -r compilers_and_libraries_${version}/mac/mkl/bin/pkgconfig/* $out/lib/pkgconfig
-  '' else ''
+  installPhase = ''
     for f in $(find . -name 'mkl*.pc') ; do
       bn=$(basename $f)
       substituteInPlace $f \
@@ -128,22 +108,26 @@ in stdenvNoCC.mkDerivation ({
     done
 
     # License
-    install -Dm0655 -t $out/share/doc/mkl opt/intel/oneapi/mkl/2021.1.1/licensing/en/license.txt
+    install -Dm0655 -t $out/share/doc/mkl opt/intel/oneapi/mkl/${mklVersion}/licensing/license.txt
 
     # Dynamic libraries
-    install -Dm0755 -t $out/lib opt/intel/oneapi/mkl/${mklVersion}/lib/intel64/*.so*
-    install -Dm0755 -t $out/lib opt/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/*.so*
-    install -Dm0755 -t $out/lib opt/intel/oneapi/tbb/2021.1.1/lib/intel64/gcc4.8/*.so*
+    mkdir -p $out/lib
+    cp -a opt/intel/oneapi/mkl/${mklVersion}/lib/${lib.optionalString stdenvNoCC.isLinux "intel64"}/*${shlibExt}* $out/lib
+    cp -a opt/intel/oneapi/compiler/${mklVersion}/${if stdenvNoCC.isDarwin then "mac" else "linux"}/compiler/lib/${lib.optionalString stdenvNoCC.isLinux "intel64_lin"}/*${shlibExt}* $out/lib
+    cp -a opt/intel/oneapi/tbb/${tbbVersion}/lib/${lib.optionalString stdenvNoCC.isLinux "intel64/gcc4.8"}/*${shlibExt}* $out/lib
 
     # Headers
     cp -r opt/intel/oneapi/mkl/${mklVersion}/include $out/
+
+    # CMake config
+    cp -r opt/intel/oneapi/mkl/${mklVersion}/lib/cmake $out/lib
   '' +
     (if enableStatic then ''
-      install -Dm0644 -t $out/lib opt/intel/oneapi/mkl/${mklVersion}/lib/intel64/*.a
-      install -Dm0644 -t $out/lib/pkgconfig opt/intel/oneapi/mkl/2021.1.1/tools/pkgconfig/*.pc
+      install -Dm0644 -t $out/lib opt/intel/oneapi/mkl/${mklVersion}/lib/${lib.optionalString stdenvNoCC.isLinux "intel64"}/*.a
+      install -Dm0644 -t $out/lib/pkgconfig opt/intel/oneapi/mkl/${mklVersion}/lib/pkgconfig/*.pc
     '' else ''
-      cp opt/intel/oneapi/mkl/${mklVersion}/lib/intel64/*.so* $out/lib
-      install -Dm0644 -t $out/lib/pkgconfig opt/intel/oneapi/mkl/2021.1.1/tools/pkgconfig/*dynamic*.pc
+      cp opt/intel/oneapi/mkl/${mklVersion}/lib/${lib.optionalString stdenvNoCC.isLinux "intel64"}/*${shlibExt}* $out/lib
+      install -Dm0644 -t $out/lib/pkgconfig opt/intel/oneapi/mkl/${mklVersion}/lib/pkgconfig/*dynamic*.pc
     '') + ''
     # Setup symlinks for blas / lapack
     ln -s $out/lib/libmkl_rt${shlibExt} $out/lib/libblas${shlibExt}
@@ -165,8 +149,8 @@ in stdenvNoCC.mkDerivation ({
       install_name_tool -id $out/lib/$(basename $f) $f || true
     done
     install_name_tool -change @rpath/libiomp5.dylib $out/lib/libiomp5.dylib $out/lib/libmkl_intel_thread.dylib
-    install_name_tool -change @rpath/libtbb.dylib $out/lib/libtbb.dylib $out/lib/libmkl_tbb_thread.dylib
-    install_name_tool -change @rpath/libtbbmalloc.dylib $out/lib/libtbbmalloc.dylib $out/lib/libtbbmalloc_proxy.dylib
+    install_name_tool -change @rpath/libtbb.12.dylib $out/lib/libtbb.12.dylib $out/lib/libmkl_tbb_thread.dylib
+    install_name_tool -change @rpath/libtbbmalloc.2.dylib $out/lib/libtbbmalloc.2.dylib $out/lib/libtbbmalloc_proxy.dylib
   '';
 
   # Per license agreement, do not modify the binary
@@ -196,7 +180,7 @@ in stdenvNoCC.mkDerivation ({
   };
 } // lib.optionalAttrs stdenvNoCC.isDarwin {
   src = fetchurl {
-    url = "http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/15235/m_mkl_${version}.dmg";
-    sha256 = "14b3ciz7995sqcd6jz7hc8g2x4zwvqxmgxgni46vrlb7n523l62f";
+    url = "https://registrationcenter-download.intel.com/akdlm/IRC_NAS/087a9190-9d96-4b8c-bd2f-79159572ed89/m_onemkl_p_${mklVersion}.${rel}_offline.dmg";
+    hash = "sha256-bUaaJPSaLr60fw0DzDCjPvY/UucHlLbCSLyQxyiAi04=";
   };
 })
diff --git a/nixpkgs/pkgs/development/libraries/science/math/mongoose/default.nix b/nixpkgs/pkgs/development/libraries/science/math/mongoose/default.nix
index 7dd52f3b663d..e48658b19b82 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/mongoose/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/mongoose/default.nix
@@ -1,30 +1,67 @@
-{ lib, stdenv
+{ lib
+, stdenv
 , fetchFromGitHub
+, fetchpatch
 , cmake
+, blas
 }:
 
+let
+  suitesparseVersion = "7.0.1";
+in
 stdenv.mkDerivation rec {
   pname = "mongoose";
-  version = "2.0.4";
+  version = "3.0.4";
 
   outputs = [ "bin" "out" "dev" ];
 
   src = fetchFromGitHub {
-    owner = "ScottKolo";
-    repo = "Mongoose";
-    rev = "v${version}";
-    sha256 = "0ymwd4n8p8s0ndh1vcbmjcsm0x2cc2b7v3baww5y6as12873bcrh";
+    owner = "DrTimothyAldenDavis";
+    repo = "SuiteSparse";
+    rev = "v${suitesparseVersion}";
+    hash = "sha256-EIreweeOx44YDxlnxnJ7l31Ie1jSx6y87VAyEX+4NsQ=";
   };
 
   nativeBuildInputs = [
     cmake
   ];
 
+  buildInputs = [
+    blas
+  ];
+
+  dontUseCmakeConfigure = true;
+
+  cmakeFlags = [
+    "-DBLAS_LIBRARIES=${blas}"
+    "-DCMAKE_BUILD_WITH_INSTALL_NAME_DIR=ON"
+  ];
+
+  buildPhase = ''
+    runHook preConfigure
+
+    for f in SuiteSparse_config Mongoose; do
+      (cd $f && cmakeConfigurePhase && make -j$NIX_BUILD_CORES)
+    done
+
+    runHook postConfigure
+  '';
+
+  installPhase = ''
+    runHook preInstall
+
+    for f in SuiteSparse_config Mongoose; do
+      (cd $f/build && make install -j$NIX_BUILD_CORES)
+    done
+
+    runHook postInstall
+  '';
+
   meta = with lib; {
     description = "Graph Coarsening and Partitioning Library";
-    homepage = "https://github.com/ScottKolo/Mongoose";
-    license = licenses.gpl3;
-    maintainers = with maintainers; [];
+    homepage = "https://github.com/DrTimothyAldenDavis/SuiteSparse/tree/dev/Mongoose";
+    license = licenses.gpl3Only;
+    maintainers = with maintainers; [ wegank ];
     platforms = with platforms; unix;
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/nccl/default.nix b/nixpkgs/pkgs/development/libraries/science/math/nccl/default.nix
index 41dddf2391ac..155e863bf21e 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/nccl/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/nccl/default.nix
@@ -1,28 +1,53 @@
-{ lib, stdenv, fetchFromGitHub, which, cudatoolkit, addOpenGLRunpath }:
+{ lib
+, backendStdenv
+, fetchFromGitHub
+, which
+, cudaPackages ? { }
+, addOpenGLRunpath
+}:
 
-stdenv.mkDerivation rec {
-  name = "nccl-${version}-cuda-${cudatoolkit.majorVersion}";
-  version = "2.12.10-1";
+with cudaPackages;
+
+let
+  # Output looks like "-gencode=arch=compute_86,code=sm_86 -gencode=arch=compute_86,code=compute_86"
+  gencode = lib.concatStringsSep " " cudaFlags.gencode;
+in
+backendStdenv.mkDerivation rec {
+  name = "nccl-${version}-cuda-${cudaPackages.cudaMajorVersion}";
+  version = "2.16.5-1";
 
   src = fetchFromGitHub {
     owner = "NVIDIA";
     repo = "nccl";
     rev = "v${version}";
-    sha256 = "sha256-QqORzm0gD+QG+P8rId8bQn2oZsxL5YyxCIobUVs85wE=";
+    hash = "sha256-JyhhYKSVIqUKIbC1rCJozPT1IrIyRLGrTjdPjJqsYaU=";
   };
 
   outputs = [ "out" "dev" ];
 
-  nativeBuildInputs = [ which addOpenGLRunpath ];
+  nativeBuildInputs = [
+    which
+    addOpenGLRunpath
+    cuda_nvcc
+  ];
 
-  buildInputs = [ cudatoolkit ];
+  buildInputs = [
+    cuda_cudart
+  ] ++ lib.optionals (lib.versionAtLeast cudaVersion "12.0.0") [
+    cuda_cccl
+  ];
 
   preConfigure = ''
     patchShebangs src/collectives/device/gen_rules.sh
+    makeFlagsArray+=(
+      "NVCC_GENCODE=${gencode}"
+    )
   '';
 
   makeFlags = [
-    "CUDA_HOME=${cudatoolkit}"
+    "CUDA_HOME=${cuda_nvcc}"
+    "CUDA_LIB=${cuda_cudart}/lib64"
+    "CUDA_INC=${cuda_cudart}/include"
     "PREFIX=$(out)"
   ];
 
@@ -34,12 +59,12 @@ stdenv.mkDerivation rec {
     addOpenGLRunpath $out/lib/lib*.so
   '';
 
-  NIX_CFLAGS_COMPILE = [ "-Wno-unused-function" ];
+  env.NIX_CFLAGS_COMPILE = toString [ "-Wno-unused-function" ];
 
   enableParallelBuilding = true;
 
   passthru = {
-    inherit cudatoolkit;
+    inherit cudaPackages;
   };
 
   meta = with lib; {
diff --git a/nixpkgs/pkgs/development/libraries/science/math/openblas/default.nix b/nixpkgs/pkgs/development/libraries/science/math/openblas/default.nix
index 8e5d71801158..950402315a9b 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/openblas/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/openblas/default.nix
@@ -1,4 +1,4 @@
-{ lib, stdenv, fetchFromGitHub, perl, which
+{ lib, stdenv, fetchFromGitHub, fetchpatch, perl, which
 # Most packages depending on openblas expect integer width to match
 # pointer width, but some expect to use 32-bit integers always
 # (for compatibility with reference BLAS).
@@ -23,9 +23,14 @@
 , enableAVX512 ? false
 , enableStatic ? stdenv.hostPlatform.isStatic
 , enableShared ? !stdenv.hostPlatform.isStatic
-}:
 
-with lib;
+# for passthru.tests
+, ceres-solver
+, giac
+, octave
+, opencv
+, python3
+}:
 
 let blas64_ = blas64; in
 
@@ -101,6 +106,13 @@ let
       DYNAMIC_ARCH = setDynamicArch false;
       USE_OPENMP = true;
     };
+
+    loongarch64-linux = {
+      BINARY = 64;
+      TARGET = setTarget "LOONGSONGENERIC";
+      DYNAMIC_ARCH = setDynamicArch false;
+      USE_OPENMP = true;
+    };
   };
 in
 
@@ -114,7 +126,7 @@ let
   blas64 =
     if blas64_ != null
       then blas64_
-      else hasPrefix "x86_64" stdenv.hostPlatform.system;
+      else lib.hasPrefix "x86_64" stdenv.hostPlatform.system;
   # Convert flag values to format OpenBLAS's build expects.
   # `toString` is almost what we need other than bools,
   # which we need to map {true -> 1, false -> 0}
@@ -122,14 +134,14 @@ let
   mkMakeFlagValue = val:
     if !builtins.isBool val then toString val
     else if val then "1" else "0";
-  mkMakeFlagsFromConfig = mapAttrsToList (var: val: "${var}=${mkMakeFlagValue val}");
+  mkMakeFlagsFromConfig = lib.mapAttrsToList (var: val: "${var}=${mkMakeFlagValue val}");
 
   shlibExt = stdenv.hostPlatform.extensions.sharedLibrary;
 
 in
 stdenv.mkDerivation rec {
   pname = "openblas";
-  version = "0.3.20";
+  version = "0.3.21";
 
   outputs = [ "out" "dev" ];
 
@@ -137,9 +149,23 @@ stdenv.mkDerivation rec {
     owner = "xianyi";
     repo = "OpenBLAS";
     rev = "v${version}";
-    sha256 = "sha256-FLPVcepf7tv/es+4kur9Op7o3iVAAayuYN4hY/P4mmQ=";
+    sha256 = "sha256-F6cXPqQai4kA5zrsa8E0Q7dD9zZHlwZ+B16EOGNXoXs=";
   };
 
+  patches = lib.optionals stdenv.hostPlatform.isLoongArch64 [
+    # https://github.com/xianyi/OpenBLAS/pull/3626
+    (fetchpatch {
+      name = "openblas-0.3.21-fix-loong.patch";
+      url = "https://gitweb.gentoo.org/repo/gentoo.git/plain/sci-libs/openblas/files/openblas-0.3.21-fix-loong.patch?id=37ee4c70278eb41181f69e175575b0152b941655";
+      hash = "sha256-iWy11l3wEvzNV08LbhOjnSPj1SjPH8RMnb3ORz7V+gc";
+    })
+  ];
+
+  postPatch = ''
+    # cc1: error: invalid feature modifier 'sve2' in '-march=armv8.5-a+sve+sve2+bf16'
+    substituteInPlace Makefile.arm64 --replace "+sve2+bf16" ""
+  '';
+
   inherit blas64;
 
   # Some hardening features are disabled due to sporadic failures in
@@ -167,10 +193,13 @@ stdenv.mkDerivation rec {
     buildPackages.stdenv.cc
   ];
 
+  enableParallelBuilding = true;
+
   makeFlags = mkMakeFlagsFromConfig (config // {
     FC = "${stdenv.cc.targetPrefix}gfortran";
     CC = "${stdenv.cc.targetPrefix}${if stdenv.cc.isClang then "clang" else "cc"}";
     PREFIX = placeholder "out";
+    OPENBLAS_INCLUDE_DIR = "${placeholder "dev"}/include";
     NUM_THREADS = 64;
     INTERFACE64 = blas64;
     NO_STATIC = !enableStatic;
@@ -184,6 +213,10 @@ stdenv.mkDerivation rec {
     NO_BINARY_MODE = if stdenv.isx86_64
         then toString (stdenv.hostPlatform != stdenv.buildPlatform)
         else stdenv.hostPlatform != stdenv.buildPlatform;
+    # This disables automatic build job count detection (which honours neither enableParallelBuilding nor NIX_BUILD_CORES)
+    # and uses the main make invocation's job count, falling back to 1 if no parallelism is used.
+    # https://github.com/xianyi/OpenBLAS/blob/v0.3.20/getarch.c#L1781-L1792
+    MAKE_NB_JOBS = 0;
   } // (lib.optionalAttrs singleThreaded {
     # As described on https://github.com/xianyi/OpenBLAS/wiki/Faq/4bded95e8dc8aadc70ce65267d1093ca7bdefc4c#multi-threaded
     USE_THREAD = false;
@@ -202,7 +235,7 @@ stdenv.mkDerivation rec {
 Name: $alias
 Version: ${version}
 Description: $alias provided by the OpenBLAS package.
-Cflags: -I$out/include
+Cflags: -I$dev/include
 Libs: -L$out/lib -lopenblas
 EOF
     done
@@ -225,11 +258,16 @@ EOF
     ln -s $out/lib/libopenblas.a $out/lib/liblapacke.a
   '';
 
+  passthru.tests = {
+    inherit (python3.pkgs) numpy scipy;
+    inherit ceres-solver giac octave opencv;
+  };
+
   meta = with lib; {
     description = "Basic Linear Algebra Subprograms";
     license = licenses.bsd3;
     homepage = "https://github.com/xianyi/OpenBLAS";
-    platforms = platforms.unix;
+    platforms = attrNames configs;
     maintainers = with maintainers; [ ttuegel ];
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/or-tools/default.nix b/nixpkgs/pkgs/development/libraries/science/math/or-tools/default.nix
index 20978e31cff1..92588307ca57 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/or-tools/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/or-tools/default.nix
@@ -1,109 +1,114 @@
-{ lib
-, stdenv
-, fetchFromGitHub
-, cmake
-, abseil-cpp
+{ abseil-cpp
 , bzip2
-, zlib
-, lsb-release
-, which
-, protobuf
 , cbc
+, cmake
+, eigen
 , ensureNewerSourcesForZipFilesHook
+, fetchFromGitHub
+, fetchpatch
+, glpk
+, lib
+, pkg-config
+, protobuf
 , python
+, re2
+, stdenv
 , swig4
+, unzip
+, zlib
 }:
 
 stdenv.mkDerivation rec {
   pname = "or-tools";
-  version = "9.1";
-  disabled = python.pythonOlder "3.6";  # not supported upstream
+  version = "9.4";
 
   src = fetchFromGitHub {
     owner = "google";
     repo = "or-tools";
     rev = "v${version}";
-    sha256 = "sha256-dEYMPWpa3J9EqtCq3kubdUYJivNRTOKUpNDx3UC1IcQ=";
+    sha256 = "sha256-joWonJGuxlgHhXLznRhC1MDltQulXzpo4Do9dec1bLY=";
   };
-
-  # The original build system uses cmake which does things like pull
-  # in dependencies through git and Makefile creation time. We
-  # obviously don't want to do this so instead we provide the
-  # dependencies straight from nixpkgs and use the make build method.
-
-  # Cbc is linked against bzip2 and declares this in its pkgs-config file,
-  # but this makefile doesn't use pkgs-config, so we also have to add lbz2
-  configurePhase = ''
-    substituteInPlace makefiles/Makefile.third_party.unix.mk \
-      --replace 'COINUTILS_LNK = $(STATIC_COINUTILS_LNK)' \
-                'COINUTILS_LNK = $(STATIC_COINUTILS_LNK) -lbz2'
-
-    cat <<EOF > Makefile.local
-      UNIX_ABSL_DIR=${abseil-cpp}
-      UNIX_PROTOBUF_DIR=${protobuf}
-      UNIX_CBC_DIR=${cbc}
-      USE_SCIP=OFF
-    EOF
-  '';
-
-  # Many of these 'samples' (which are really the tests) require using SCIP, and or-tools 8.1
-  # will just crash if SCIP is not found because it doesn't fall back to using one of
-  # the available solvers: https://github.com/google/or-tools/blob/b77bd3ac69b7f3bb02f55b7bab6cbb4bab3917f2/ortools/linear_solver/linear_solver.cc#L427
-  # We don't compile with SCIP because it does not have an open source license.
-  # See https://github.com/google/or-tools/issues/2395
-  preBuild = ''
-    for file in ortools/linear_solver/samples/*.cc; do
-      if grep -q SCIP_MIXED_INTEGER_PROGRAMMING $file; then
-        substituteInPlace $file --replace SCIP_MIXED_INTEGER_PROGRAMMING CBC_MIXED_INTEGER_PROGRAMMING
-      fi;
-    done
-
-    substituteInPlace ortools/linear_solver/samples/simple_mip_program.cc \
-      --replace 'SCIP' 'CBC'
-  '';
-  makeFlags = [
-    "prefix=${placeholder "out"}"
-    "PROTOBUF_PYTHON_DESC=${python.pkgs.protobuf}/${python.sitePackages}/google/protobuf/descriptor_pb2.py"
+  patches = [
+    # Disable test that requires external input: https://github.com/google/or-tools/issues/3429
+    (fetchpatch {
+      url = "https://github.com/google/or-tools/commit/7072ae92ec204afcbfce17d5360a5884c136ce90.patch";
+      hash = "sha256-iWE+atp308q7pC1L1FD6sK8LvWchZ3ofxvXssguozbM=";
+    })
+    # Fix test that broke in parallel builds: https://github.com/google/or-tools/issues/3461
+    (fetchpatch {
+      url = "https://github.com/google/or-tools/commit/a26602f24781e7bfcc39612568aa9f4010bb9736.patch";
+      hash = "sha256-gM0rW0xRXMYaCwltPK0ih5mdo3HtX6mKltJDHe4gbLc=";
+    })
+    # Backport fix in cmake test configuration where pip installs newer version from PyPi over local build,
+    #  breaking checkPhase: https://github.com/google/or-tools/issues/3260
+    (fetchpatch {
+      url = "https://github.com/google/or-tools/commit/edd1544375bd55f79168db315151a48faa548fa0.patch";
+      hash = "sha256-S//1YM3IoRCp3Ghg8zMF0XXgIpVmaw4gH8cVb9eUbqM=";
+    })
   ];
-  buildFlags = [ "cc" "pypi_archive" ];
 
-  doCheck = true;
-  checkTarget = "test_cc";
-
-  installTargets = [ "install_cc" ];
-  # The upstream install_python target installs to $HOME.
-  postInstall = ''
-    mkdir -p "$python/${python.sitePackages}"
-    (cd temp_python/ortools; PYTHONPATH="$python/${python.sitePackages}:$PYTHONPATH" python setup.py install '--prefix=$python')
+  # or-tools normally attempts to build Protobuf for the build platform when
+  # cross-compiling. Instead, just tell it where to find protoc.
+  postPatch = ''
+    echo "set(PROTOC_PRG $(type -p protoc))" > cmake/host.cmake
   '';
 
-  # protobuf generation is not thread safe
-  enableParallelBuilding = false;
-
+  cmakeFlags = [
+    "-DBUILD_DEPS=OFF"
+    "-DBUILD_PYTHON=ON"
+    "-DBUILD_pybind11=OFF"
+    "-DFETCH_PYTHON_DEPS=OFF"
+    "-DUSE_GLPK=ON"
+    "-DUSE_SCIP=OFF"
+    "-DPython3_EXECUTABLE=${python.pythonForBuild.interpreter}"
+  ] ++ lib.optionals stdenv.isDarwin [ "-DCMAKE_MACOSX_RPATH=OFF" ];
   nativeBuildInputs = [
     cmake
-    lsb-release
-    swig4
-    which
     ensureNewerSourcesForZipFilesHook
+    pkg-config
+    python.pythonForBuild
+    swig4
+    unzip
+  ] ++ (with python.pythonForBuild.pkgs; [
+    pip
+    mypy-protobuf
+  ]);
+  buildInputs = [
+    bzip2
+    cbc
+    eigen
+    glpk
+    python.pkgs.absl-py
+    python.pkgs.pybind11
     python.pkgs.setuptools
     python.pkgs.wheel
-  ];
-  buildInputs = [
+    re2
     zlib
-    bzip2
-    python
   ];
   propagatedBuildInputs = [
     abseil-cpp
     protobuf
-
     python.pkgs.protobuf
-    python.pkgs.six
-    python.pkgs.absl-py
-    python.pkgs.mypy-protobuf
+    python.pkgs.numpy
+  ];
+  nativeCheckInputs = [
+    python.pkgs.matplotlib
+    python.pkgs.pandas
+    python.pkgs.virtualenv
   ];
 
+  doCheck = true;
+
+  # This extra configure step prevents the installer from littering
+  # $out/bin with sample programs that only really function as tests,
+  # and disables the upstream installation of a zipped Python egg that
+  # can’t be imported with our Python setup.
+  installPhase = ''
+    cmake . -DBUILD_EXAMPLES=OFF -DBUILD_PYTHON=OFF -DBUILD_SAMPLES=OFF
+    cmake --install .
+    pip install --prefix="$python" python/
+  '';
+
   outputs = [ "out" "python" ];
 
   meta = with lib; {
@@ -113,6 +118,6 @@ stdenv.mkDerivation rec {
       Google's software suite for combinatorial optimization.
     '';
     maintainers = with maintainers; [ andersk ];
-    platforms = with platforms; linux;
+    platforms = with platforms; linux ++ darwin;
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/osi/default.nix b/nixpkgs/pkgs/development/libraries/science/math/osi/default.nix
index b61cd8406064..8ee048c2819b 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/osi/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/osi/default.nix
@@ -1,19 +1,21 @@
-{ stdenv, lib, fetchurl, gfortran, pkg-config
-, blas, zlib, bzip2
+{ stdenv, lib, fetchFromGitHub, gfortran, pkg-config
+, blas, zlib, bzip2, coin-utils
 , withGurobi ? false, gurobi
 , withCplex ? false, cplex }:
 
 stdenv.mkDerivation rec {
   pname = "osi";
-  version = "0.108.6";
+  version = "0.108.8";
 
-  src = fetchurl {
-    url = "https://www.coin-or.org/download/source/Osi/Osi-${version}.tgz";
-    sha256 = "1n2jlpq4aikbp0ncs16f7q1pj7yk6kny1bh4fmjaqnwrjw63zvsp";
+  src = fetchFromGitHub {
+    owner = "coin-or";
+    repo = "Osi";
+    rev = "releases/${version}";
+    hash = "sha256-Wyxeyn49QWzGvW6bMwCp39iLkB1eMQUEpIxUgpLcxgA=";
   };
 
   buildInputs =
-    [ blas zlib bzip2 ]
+    [ blas zlib bzip2 coin-utils ]
     ++ lib.optional withGurobi gurobi
     ++ lib.optional withCplex cplex;
   nativeBuildInputs = [ gfortran pkg-config ];
@@ -25,7 +27,7 @@ stdenv.mkDerivation rec {
     lib.optionalString withCplex "-L${cplex}/cplex/bin/${cplex.libArch}";
 
   # Compile errors
-  NIX_CFLAGS_COMPILE = "-Wno-cast-qual";
+  env.NIX_CFLAGS_COMPILE = "-Wno-cast-qual";
   hardeningDisable = [ "format" ];
 
   enableParallelBuilding = true;
@@ -35,7 +37,7 @@ stdenv.mkDerivation rec {
   meta = with lib; {
     description = "An abstract base class to a generic linear programming (LP) solver";
     homepage = "https://github.com/coin-or/Osi";
-    license = licenses.epl10;
+    license = licenses.epl20;
     platforms = platforms.unix;
     maintainers = with maintainers; [ abbradar ];
   };
diff --git a/nixpkgs/pkgs/development/libraries/science/math/osqp/default.nix b/nixpkgs/pkgs/development/libraries/science/math/osqp/default.nix
index 485ec06773bb..bf22e1d74d93 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/osqp/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/osqp/default.nix
@@ -5,13 +5,13 @@
 
 stdenv.mkDerivation rec {
   pname = "osqp";
-  version = "0.6.2";
+  version = "0.6.3";
 
   src = fetchFromGitHub {
     owner = "oxfordcontrol";
     repo = "osqp";
     rev = "v${version}";
-    sha256 = "sha256-RYk3zuZrJXPcF27eMhdoZAio4DZ+I+nFaUEg1g/aLNk=";
+    sha256 = "sha256-enkK5EFyAeLaUnHNYS3oq43HsHY5IuSLgsYP0k/GW8c=";
     fetchSubmodules = true;
   };
 
diff --git a/nixpkgs/pkgs/development/libraries/science/math/p4est-sc/default.nix b/nixpkgs/pkgs/development/libraries/science/math/p4est-sc/default.nix
index eeb1d14b910a..fbd9db6a419f 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/p4est-sc/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/p4est-sc/default.nix
@@ -5,7 +5,7 @@
 }:
 
 let
-  dbg = if debugEnable then "-dbg" else "";
+  dbg = lib.optionalString debugEnable "-dbg";
   debugEnable = p4est-sc-debugEnable;
   mpiSupport = p4est-sc-mpiSupport;
   isOpenmpi = mpiSupport && mpi.pname == "openmpi";
@@ -35,7 +35,7 @@ stdenv.mkDerivation {
   '';
   preConfigure = ''
     echo "2.8.0" > .tarball-version
-    ${if mpiSupport then "unset CC" else ""}
+    ${lib.optionalString mpiSupport "unset CC"}
   '';
 
   configureFlags = [ "--enable-pthread=-pthread" ]
diff --git a/nixpkgs/pkgs/development/libraries/science/math/p4est/default.nix b/nixpkgs/pkgs/development/libraries/science/math/p4est/default.nix
index 9396a9144423..a55c5fe573bf 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/p4est/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/p4est/default.nix
@@ -9,7 +9,7 @@
 
 let
   inherit (p4est-sc) debugEnable mpiSupport;
-  dbg = if debugEnable then "-dbg" else "";
+  dbg = lib.optionalString debugEnable "-dbg";
   withMetis = p4est-withMetis;
 in
 stdenv.mkDerivation {
diff --git a/nixpkgs/pkgs/development/libraries/science/math/petsc/default.nix b/nixpkgs/pkgs/development/libraries/science/math/petsc/default.nix
index e847d1decd24..06494a1dddcb 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/petsc/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/petsc/default.nix
@@ -18,11 +18,11 @@ assert petsc-withp4est -> p4est.mpiSupport;
 
 stdenv.mkDerivation rec {
   pname = "petsc";
-  version = "3.17.4";
+  version = "3.19.1";
 
   src = fetchurl {
     url = "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-${version}.tar.gz";
-    sha256 = "sha256-mcEnSGcio//ZWiaLTOsJdsvyF5JsaBqWMb1yRuq4yyo=";
+    sha256 = "sha256-dNtgxTyAtI1cOeB7w5qIPsztiLnySl3hfPb0hakD4SA=";
   };
 
   mpiSupport = !withp4est || p4est.mpiSupport;
@@ -42,6 +42,12 @@ stdenv.mkDerivation rec {
       --replace /usr/bin/install_name_tool ${darwin.cctools}/bin/install_name_tool
   '';
 
+  # Both OpenMPI and MPICH get confused by the sandbox environment and spew errors like this (both to stdout and stderr):
+  #     [hwloc/linux] failed to find sysfs cpu topology directory, aborting linux discovery.
+  #     [1684747490.391106] [localhost:14258:0]       tcp_iface.c:837  UCX  ERROR opendir(/sys/class/net) failed: No such file or directory
+  # These messages contaminate test output, which makes the quicktest suite to fail. The patch adds filtering for these messages.
+  patches = [ ./filter_mpi_warnings.patch ];
+
   preConfigure = ''
     export FC="${gfortran}/bin/gfortran" F77="${gfortran}/bin/gfortran"
     patchShebangs ./lib/petsc/bin
@@ -55,11 +61,11 @@ stdenv.mkDerivation rec {
         "--with-fc=mpif90"
         "--with-mpi=1"
       ''}
-      ${if withp4est then ''
+      ${lib.optionalString withp4est ''
         "--with-p4est=1"
         "--with-zlib-include=${zlib.dev}/include"
         "--with-zlib-lib=-L${zlib}/lib -lz"
-      '' else ""}
+      ''}
       "--with-blas=1"
       "--with-lapack=1"
     )
@@ -67,11 +73,6 @@ stdenv.mkDerivation rec {
 
   configureScript = "python ./configure";
 
-  # disable stackprotector on aarch64-darwin for now
-  # https://github.com/NixOS/nixpkgs/issues/158730
-  # see https://github.com/NixOS/nixpkgs/issues/127608 for a similar issue
-  hardeningDisable = lib.optionals (stdenv.isAarch64 && stdenv.isDarwin) [ "stackprotector" ];
-
   enableParallelBuilding = true;
   doCheck = stdenv.hostPlatform == stdenv.buildPlatform;
 
diff --git a/nixpkgs/pkgs/development/libraries/science/math/petsc/filter_mpi_warnings.patch b/nixpkgs/pkgs/development/libraries/science/math/petsc/filter_mpi_warnings.patch
new file mode 100644
index 000000000000..590528446f61
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/petsc/filter_mpi_warnings.patch
@@ -0,0 +1,100 @@
+diff --git a/src/snes/tutorials/makefile b/src/snes/tutorials/makefile
+index 168febb34b6..71068469066 100644
+--- a/src/snes/tutorials/makefile
++++ b/src/snes/tutorials/makefile
+@@ -13,6 +13,7 @@ include ${PETSC_DIR}/lib/petsc/conf/rules
+ #  these tests are used by the makefile in PETSC_DIR for basic tests of the install and should not be removed
+ testex5f: ex5f.PETSc
+ 	-@${MPIEXEC} -n 1 ${MPIEXEC_TAIL} ./ex5f -snes_rtol 1e-4 > ex5f_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex5f_1.tmp; \
+         if (${DIFF} output/ex5f_1.testout ex5f_1.tmp > /dev/null 2>&1) then \
+           echo "Fortran example src/snes/tutorials/ex5f run successfully with 1 MPI process"; \
+         else \
+@@ -25,6 +26,7 @@ testex5f: ex5f.PETSc
+         ${MAKE} PETSC_ARCH=${PETSC_ARCH} PETSC_DIR=${PETSC_DIR} ex5f.rm;
+ testex19: ex19.PETSc
+ 	-@${MPIEXEC} -n 1 ${MPIEXEC_TAIL} ./ex19 -da_refine 3 -pc_type mg -ksp_type fgmres  > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+         if (${DIFF} output/ex19_1.testout ex19_1.tmp > /dev/null 2>&1) then \
+           echo "C/C++ example src/snes/tutorials/ex19 run successfully with 1 MPI process"; \
+         else \
+@@ -36,6 +38,7 @@ testex19: ex19.PETSc
+         ${RM} -f ex19_1.tmp;
+ testex19_mpi:
+ 	-@${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex19 -da_refine 3 -pc_type mg -ksp_type fgmres  > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+         if (${DIFF} output/ex19_1.testout ex19_1.tmp > /dev/null 2>&1) then \
+           echo "C/C++ example src/snes/tutorials/ex19 run successfully with 2 MPI processes"; \
+         else \
+@@ -48,6 +51,7 @@ testex19_mpi:
+ #use unpreconditioned norm because HYPRE device installations use different AMG parameters
+ runex19_hypre:
+ 	-@${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex19 -da_refine 3 -snes_monitor_short -ksp_norm_type unpreconditioned -pc_type hypre > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+           if (${DIFF} output/ex19_hypre.out ex19_1.tmp) then \
+             echo "C/C++ example src/snes/tutorials/ex19 run successfully with hypre"; \
+           else  \
+@@ -57,6 +61,7 @@ runex19_hypre:
+           ${RM} -f ex19_1.tmp
+ runex19_hypre_cuda:
+ 	-@${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex19 -dm_vec_type cuda -dm_mat_type aijcusparse -da_refine 3 -snes_monitor_short -ksp_norm_type unpreconditioned -pc_type hypre > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+ 	   if (${DIFF} output/ex19_hypre.out ex19_1.tmp) then \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with hypre/cuda"; \
+            else  \
+@@ -66,6 +71,7 @@ runex19_hypre_cuda:
+ 	   ${RM} -f ex19_1.tmp
+ runex19_hypre_hip:
+ 	-@${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex19 -dm_vec_type hip -da_refine 3 -snes_monitor_short -ksp_norm_type unpreconditioned -pc_type hypre > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+ 	   if (${DIFF} output/ex19_hypre.out ex19_1.tmp) then \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with hypre/hip"; \
+            else \
+@@ -75,6 +81,7 @@ runex19_hypre_hip:
+ 	   ${RM} -f ex19_1.tmp
+ runex19_cuda:
+ 	-@${MPIEXEC} -n 1 ${MPIEXEC_TAIL} ./ex19 -snes_monitor -dm_mat_type seqaijcusparse -dm_vec_type seqcuda -pc_type gamg -pc_gamg_esteig_ksp_max_it 10 -ksp_monitor -mg_levels_ksp_max_it 3  > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+ 	   if (${DIFF} output/ex19_cuda_1.out ex19_1.tmp) then \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with cuda"; \
+            else  \
+@@ -84,6 +91,7 @@ runex19_cuda:
+ 	   ${RM} -f ex19_1.tmp
+ runex19_ml:
+ 	-@${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex19 -da_refine 3 -snes_monitor_short -pc_type ml > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+ 	   if (${DIFF} output/ex19_ml.out ex19_1.tmp) then  \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with ml"; \
+            else \
+@@ -93,6 +101,7 @@ runex19_ml:
+            ${RM} -f ex19_1.tmp
+ runex19_fieldsplit_mumps:
+ 	-@${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex19 -pc_type fieldsplit -pc_fieldsplit_block_size 4 -pc_fieldsplit_type SCHUR -pc_fieldsplit_0_fields 0,1,2 -pc_fieldsplit_1_fields 3 -fieldsplit_0_pc_type lu -fieldsplit_1_pc_type lu -snes_monitor_short -ksp_monitor_short  -fieldsplit_0_pc_factor_mat_solver_type mumps -fieldsplit_1_pc_factor_mat_solver_type mumps > ex19_6.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_6.tmp; \
+ 	   if (${DIFF} output/ex19_fieldsplit_5.out ex19_6.tmp) then  \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with mumps"; \
+            else  \
+@@ -102,6 +111,7 @@ runex19_fieldsplit_mumps:
+            ${RM} -f ex19_6.tmp
+ runex19_superlu_dist:
+ 	-@${MPIEXEC} -n 1 ${MPIEXEC_TAIL} ./ex19 -da_grid_x 20 -da_grid_y 20 -pc_type lu -pc_factor_mat_solver_type superlu_dist > ex19.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19.tmp; \
+ 	   if (${DIFF} output/ex19_superlu.out ex19.tmp) then \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with superlu_dist"; \
+            else  \
+@@ -111,6 +121,7 @@ runex19_superlu_dist:
+ 	   ${RM} -f ex19.tmp
+ runex19_suitesparse:
+ 	-@${MPIEXEC} -n 1 ${MPIEXEC_TAIL} ./ex19 -da_refine 3 -snes_monitor_short -pc_type lu -pc_factor_mat_solver_type umfpack > ex19_1.tmp 2>&1; \
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex19_1.tmp; \
+ 	   if (${DIFF} output/ex19_suitesparse.out ex19_1.tmp) then \
+            echo "C/C++ example src/snes/tutorials/ex19 run successfully with suitesparse"; \
+            else \
+@@ -120,6 +131,7 @@ runex19_suitesparse:
+ 	   ${RM} -f ex19_1.tmp
+ runex3k_kokkos: ex3k.PETSc
+ 	-@OMP_PROC_BIND=false ${MPIEXEC} -n 2 ${MPIEXEC_TAIL} ./ex3k -view_initial -dm_vec_type kokkos -dm_mat_type aijkokkos -use_gpu_aware_mpi 0 -snes_monitor > ex3k_1.tmp 2>&1 ;\
++        sed -i '/\[hwloc\/linux\]/d ; /ERROR opendir(\/sys\/class\/net) failed/d' ex3k_1.tmp; \
+ 	if (${DIFF} output/ex3k_1.out ex3k_1.tmp) then \
+           echo "C/C++ example src/snes/tutorials/ex3k run successfully with kokkos-kernels"; \
+         else \
diff --git a/nixpkgs/pkgs/development/libraries/science/math/scalapack/default.nix b/nixpkgs/pkgs/development/libraries/science/math/scalapack/default.nix
index c0abcf6da659..0d553376288f 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/scalapack/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/scalapack/default.nix
@@ -35,7 +35,7 @@ stdenv.mkDerivation rec {
   '';
 
   nativeBuildInputs = [ cmake ];
-  checkInputs = [ openssh ];
+  nativeCheckInputs = [ openssh ];
   buildInputs = [ blas lapack ];
   propagatedBuildInputs = [ mpi ];
   hardeningDisable = lib.optionals (stdenv.isAarch64 && stdenv.isDarwin) [ "stackprotector" ];
diff --git a/nixpkgs/pkgs/development/libraries/science/math/scs/default.nix b/nixpkgs/pkgs/development/libraries/science/math/scs/default.nix
index 6ccbfb11f51f..087f4787a53b 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/scs/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/scs/default.nix
@@ -4,13 +4,13 @@ assert (!blas.isILP64) && (!lapack.isILP64);
 
 stdenv.mkDerivation rec {
   pname = "scs";
-  version = "3.2.0";
+  version = "3.2.3";
 
   src = fetchFromGitHub {
     owner = "cvxgrp";
     repo = "scs";
     rev = version;
-    sha256 = "sha256-ewn7AGNqTXY3bp5itHTfAQ2Es2ZAIbuRFM5U600Px50=";
+    sha256 = "sha256-0g0r3DNgkPZgag0qtz79Wk3Cre1I2yaabFi3OgUzgfc=";
   };
 
   # Actually link and add libgfortran to the rpath
diff --git a/nixpkgs/pkgs/development/libraries/science/math/suitesparse-graphblas/default.nix b/nixpkgs/pkgs/development/libraries/science/math/suitesparse-graphblas/default.nix
index 0d5409c6817d..8a00d9ae521e 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/suitesparse-graphblas/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/suitesparse-graphblas/default.nix
@@ -6,7 +6,7 @@
 
 stdenv.mkDerivation rec {
   pname = "suitesparse-graphblas";
-  version = "7.2.0";
+  version = "7.4.4";
 
   outputs = [ "out" "dev" ];
 
@@ -14,7 +14,7 @@ stdenv.mkDerivation rec {
     owner = "DrTimothyAldenDavis";
     repo = "GraphBLAS";
     rev = "v${version}";
-    sha256 = "sha256-N3TBuKWQRisXE5DQ0c+N2cv0darQ8mz4g2oe7pKst9E=";
+    sha256 = "sha256-4NLYNapIiEXntXHrsyq63jIbuBJxR77X3VbLFbvtT9A=";
   };
 
   nativeBuildInputs = [
diff --git a/nixpkgs/pkgs/development/libraries/science/math/suitesparse/4.4.nix b/nixpkgs/pkgs/development/libraries/science/math/suitesparse/4.4.nix
index e734ed8ff35a..95eeaeb8abf3 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/suitesparse/4.4.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/suitesparse/4.4.nix
@@ -53,7 +53,7 @@ stdenv.mkDerivation rec {
     "LAPACK=-llapack"
   ];
 
-  NIX_CFLAGS_COMPILE = lib.optionalString stdenv.isDarwin " -DNTIMER";
+  env.NIX_CFLAGS_COMPILE = lib.optionalString stdenv.isDarwin " -DNTIMER";
 
   postInstall = ''
     # Build and install shared library
diff --git a/nixpkgs/pkgs/development/libraries/science/math/suitesparse/default.nix b/nixpkgs/pkgs/development/libraries/science/math/suitesparse/default.nix
index dcf8a1da2586..51b55592d42e 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/suitesparse/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/suitesparse/default.nix
@@ -12,7 +12,7 @@
 
 stdenv.mkDerivation rec {
   pname = "suitesparse";
-  version = "5.11.0";
+  version = "5.13.0";
 
   outputs = [ "out" "dev" "doc" ];
 
@@ -20,7 +20,7 @@ stdenv.mkDerivation rec {
     owner = "DrTimothyAldenDavis";
     repo = "SuiteSparse";
     rev = "v${version}";
-    sha256 = "sha256-AM16ngJ/CoSV6BOb80Pi9EqWoRILryOO4Rk+S5DffLU=";
+    sha256 = "sha256-Anen1YtXsSPhk8DpA4JtADIz9m8oXFl9umlkb4iImf8=";
   };
 
   nativeBuildInputs = [
@@ -53,7 +53,7 @@ stdenv.mkDerivation rec {
     "CUBLAS_LIB=${cudatoolkit}/lib/libcublas.so"
   ] ++ lib.optionals stdenv.isDarwin [
     # Unless these are set, the build will attempt to use `Accelerate` on darwin, see:
-    # https://github.com/DrTimothyAldenDavis/SuiteSparse/blob/v5.11.0/SuiteSparse_config/SuiteSparse_config.mk#L368
+    # https://github.com/DrTimothyAldenDavis/SuiteSparse/blob/v5.13.0/SuiteSparse_config/SuiteSparse_config.mk#L368
     "BLAS=-lblas"
     "LAPACK=-llapack"
   ]
diff --git a/nixpkgs/pkgs/development/libraries/science/math/sympow/default.nix b/nixpkgs/pkgs/development/libraries/science/math/sympow/default.nix
index c31c705d39d0..09ca356ccdc5 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/sympow/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/sympow/default.nix
@@ -1,5 +1,6 @@
 { lib, stdenv
 , fetchFromGitLab
+, fetchpatch
 , makeWrapper
 , which
 , autoconf
@@ -20,7 +21,14 @@ stdenv.mkDerivation rec {
     sha256 = "132l0xv00ld1svvv9wh99wfra4zzjv2885h2sq0dsl98wiyvi5zl";
   };
 
-  patches = [ ./clean-extra-logfile-output-from-pari.patch ];
+  patches = [
+    ./clean-extra-logfile-output-from-pari.patch
+    (fetchpatch {
+      name = "null-terminate-dupdirname.patch";
+      url = "https://gitlab.com/rezozer/forks/sympow/-/merge_requests/5.diff";
+      sha256 = "sha256-yKjio+qN9teL8L+mb7WOBN/iv545vRIxW20FJU37oO4=";
+    })
+  ];
 
   postUnpack = ''
     patchShebangs .
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tensorflow-lite/default.nix b/nixpkgs/pkgs/development/libraries/science/math/tensorflow-lite/default.nix
index cf2346bad271..3426b0149ae0 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/tensorflow-lite/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/tensorflow-lite/default.nix
@@ -6,7 +6,6 @@
 , fetchpatch
 , fetchurl
 , flatbuffers
-, hostPlatform
 , lib
 , zlib
 }:
@@ -160,7 +159,7 @@ stdenv.mkDerivation rec {
     mkdir "$out"
 
     # copy the static lib and binaries into the output dir
-    cp -r ./tensorflow/lite/tools/make/gen/linux_${hostPlatform.uname.processor}/{bin,lib} "$out"
+    cp -r ./tensorflow/lite/tools/make/gen/linux_${stdenv.hostPlatform.uname.processor}/{bin,lib} "$out"
 
     find ./tensorflow/lite -type f -name '*.h' | while read f; do
       path="$out/include/''${f/.\//}"
@@ -177,5 +176,28 @@ stdenv.mkDerivation rec {
     license = licenses.asl20;
     maintainers = with maintainers; [ cpcloud ];
     platforms = [ "x86_64-linux" "aarch64-linux" ];
+    knownVulnerabilities = [
+      # at least some of
+      "CVE-2023-27579"
+      "CVE-2023-25801"
+      "CVE-2023-25676"
+      "CVE-2023-25675"
+      "CVE-2023-25674"
+      "CVE-2023-25673"
+      "CVE-2023-25671"
+      "CVE-2023-25670"
+      "CVE-2023-25669"
+      "CVE-2023-25668"
+      "CVE-2023-25667"
+      "CVE-2023-25665"
+      "CVE-2023-25666"
+      "CVE-2023-25664"
+      "CVE-2023-25663"
+      "CVE-2023-25662"
+      "CVE-2023-25660"
+      "CVE-2023-25659"
+      "CVE-2023-25658"
+      # and many many more
+    ];
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tensorflow/bin.nix b/nixpkgs/pkgs/development/libraries/science/math/tensorflow/bin.nix
deleted file mode 100644
index 1b769f44eeb1..000000000000
--- a/nixpkgs/pkgs/development/libraries/science/math/tensorflow/bin.nix
+++ /dev/null
@@ -1,75 +0,0 @@
-{ lib, stdenv
-, fetchurl
-, addOpenGLRunpath
-, cudaSupport ? false, cudaPackages ? {}
-, symlinkJoin
-}:
-
-with lib;
-let
-  broken = !stdenv.isLinux && !stdenv.isDarwin;
-
-  inherit (cudaPackages) cudatoolkit cudnn;
-
-  tfType = if cudaSupport then "gpu" else "cpu";
-
-  system =
-    if stdenv.isLinux then "linux"
-    else "darwin";
-
-  platform =  "x86_64";
-
-  rpath = makeLibraryPath ([stdenv.cc.libc stdenv.cc.cc.lib]
-                           ++ optionals cudaSupport [ cudatoolkit.out cudatoolkit.lib cudnn ]);
-
-  packages = import ./binary-hashes.nix;
-
-  patchLibs =
-    if stdenv.isDarwin
-    then ''
-      install_name_tool -id $out/lib/libtensorflow.dylib $out/lib/libtensorflow.dylib
-      install_name_tool -id $out/lib/libtensorflow_framework.dylib $out/lib/libtensorflow_framework.dylib
-    ''
-    else ''
-      patchelf --set-rpath "${rpath}:$out/lib" $out/lib/libtensorflow.so
-      patchelf --set-rpath "${rpath}" $out/lib/libtensorflow_framework.so
-      ${optionalString cudaSupport ''
-        addOpenGLRunpath $out/lib/libtensorflow.so $out/lib/libtensorflow_framework.so
-      ''}
-    '';
-
-in stdenv.mkDerivation rec {
-  pname = "libtensorflow";
-  inherit (packages) version;
-
-  src = fetchurl packages."${tfType}-${system}-${platform}";
-
-  nativeBuildInputs = optional cudaSupport addOpenGLRunpath;
-
-  # Patch library to use our libc, libstdc++ and others
-  buildCommand = ''
-    mkdir -pv $out
-    tar -C $out -xzf $src
-    chmod -R +w $out
-    ${patchLibs}
-
-    # Write pkg-config file.
-    mkdir $out/lib/pkgconfig
-    cat > $out/lib/pkgconfig/tensorflow.pc << EOF
-    Name: TensorFlow
-    Version: ${version}
-    Description: Library for computation using data flow graphs for scalable machine learning
-    Requires:
-    Libs: -L$out/lib -ltensorflow
-    Cflags: -I$out/include/tensorflow
-    EOF
-  '';
-
-  meta = {
-    description = "C API for TensorFlow";
-    homepage = "https://www.tensorflow.org/install/lang_c";
-    sourceProvenance = with lib.sourceTypes; [ binaryNativeCode ];
-    license = licenses.asl20;
-    platforms = [ "x86_64-linux" "x86_64-darwin" ];
-  };
-}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tensorflow/binary-hashes.nix b/nixpkgs/pkgs/development/libraries/science/math/tensorflow/binary-hashes.nix
deleted file mode 100644
index b606e45477a9..000000000000
--- a/nixpkgs/pkgs/development/libraries/science/math/tensorflow/binary-hashes.nix
+++ /dev/null
@@ -1,15 +0,0 @@
-{
-version = "2.4.0";
-"cpu-linux-x86_64" = {
-  url = "https://storage.googleapis.com/tensorflow/libtensorflow/libtensorflow-cpu-linux-x86_64-2.4.0.tar.gz";
-  sha256 = "022p5jjwmb8rhyyis3cpk2lw45apl2vz49m2rgxmd75h783x1gjk";
-};
-"gpu-linux-x86_64" = {
-  url = "https://storage.googleapis.com/tensorflow/libtensorflow/libtensorflow-gpu-linux-x86_64-2.4.0.tar.gz";
-  sha256 = "1fclvbrn3fs8qmhmh3lzni7s7wl1w30a071b4gzh9ifnxdhip6lq";
-};
-"cpu-darwin-x86_64" = {
-  url = "https://storage.googleapis.com/tensorflow/libtensorflow/libtensorflow-cpu-darwin-x86_64-2.4.0.tar.gz";
-  sha256 = "09x096nslg04c8sr7bd5v68a5gfinc0f1h36lbzn8bahs8b1agi3";
-};
-}
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tensorflow/prefetcher.sh b/nixpkgs/pkgs/development/libraries/science/math/tensorflow/prefetcher.sh
deleted file mode 100755
index d571d38f7719..000000000000
--- a/nixpkgs/pkgs/development/libraries/science/math/tensorflow/prefetcher.sh
+++ /dev/null
@@ -1,26 +0,0 @@
-#!/usr/bin/env bash
-
-# ./prefetcher.sh 2.4.0 binary-hashes.nix
-
-version="$1"
-hashfile="$2"
-rm -f $hashfile
-echo "{" >> $hashfile
-echo "version = \"$version\";" >> $hashfile
-for sys in "linux" "darwin"; do
-    for tfpref in "cpu" "gpu"; do
-        for platform in "x86_64"; do
-            if [ $sys = "darwin" ] && [ $tfpref = "gpu" ]; then
-               continue
-            fi
-            url=https://storage.googleapis.com/tensorflow/libtensorflow/libtensorflow-$tfpref-$sys-$platform-$version.tar.gz
-            hash=$(nix-prefetch-url $url)
-            echo "\"${tfpref}-${sys}-${platform}\" = {" >> $hashfile
-            echo "  url = \"$url\";" >> $hashfile
-            echo "  sha256 = \"$hash\";" >> $hashfile
-            echo "};" >> $hashfile
-        done
-    done
-done
-echo "}" >> $hashfile
-
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tensorrt/extension.nix b/nixpkgs/pkgs/development/libraries/science/math/tensorrt/extension.nix
index 8e9f64885bad..c6596dbaacde 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/tensorrt/extension.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/tensorrt/extension.nix
@@ -24,17 +24,90 @@ final: prev: let
     # Add all supported builds as attributes
     allBuilds = mapAttrs' (version: file: nameValuePair (computeName version) (buildTensorRTPackage (removeAttrs file ["fileVersionCuda"]))) supportedVersions;
     # Set the default attributes, e.g. tensorrt = tensorrt_8_4;
-    defaultBuild = { "tensorrt" = allBuilds.${computeName tensorRTDefaultVersion}; };
-  in allBuilds // defaultBuild;
+    defaultBuild = { "tensorrt" = if allBuilds ? ${computeName tensorRTDefaultVersion}
+      then allBuilds.${computeName tensorRTDefaultVersion}
+      else throw "tensorrt-${tensorRTDefaultVersion} does not support your cuda version ${cudaVersion}"; };
+  in {
+    inherit buildTensorRTPackage;
+  } // allBuilds // defaultBuild;
+
+  tarballURL =
+  {fullVersion, fileVersionCuda, fileVersionCudnn ? null} :
+    "TensorRT-${fullVersion}.Linux.x86_64-gnu.cuda-${fileVersionCuda}"
+    + lib.optionalString (fileVersionCudnn != null) ".cudnn${fileVersionCudnn}"
+    + ".tar.gz";
 
   tensorRTVersions = {
+    "8.6.0" = [
+      rec {
+        fileVersionCuda = "11.8";
+        fullVersion = "8.6.0.12";
+        sha256 = "sha256-wXMqEJPFerefoLaH8GG+Np5EnJwXeStmDzZj7Nj6e2M=";
+        tarball = tarballURL { inherit fileVersionCuda fullVersion; };
+        supportedCudaVersions = [ "11.0" "11.1" "11.2" "11.3" "11.4" "11.5" "11.6" "11.7" "11.8" ];
+      }
+    ];
+    "8.5.3" = [
+      rec {
+        fileVersionCuda = "11.8";
+        fileVersionCudnn = "8.6";
+        fullVersion = "8.5.3.1";
+        sha256 = "sha256-BNeuOYvPTUAfGxI0DVsNrX6Z/FAB28+SE0ptuGu7YDY=";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
+        supportedCudaVersions = [ "11.0" "11.1" "11.2" "11.3" "11.4" "11.5" "11.6" "11.7" "11.8" ];
+      }
+      rec {
+        fileVersionCuda = "10.2";
+        fileVersionCudnn = "8.6";
+        fullVersion = "8.5.3.1";
+        sha256 = "sha256-WCt6yfOmFbrjqdYCj6AE2+s2uFpISwk6urP+2I0BnGQ=";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
+        supportedCudaVersions = [ "10.2" ];
+      }
+    ];
+    "8.5.2" = [
+      rec {
+        fileVersionCuda = "11.8";
+        fileVersionCudnn = "8.6";
+        fullVersion = "8.5.2.2";
+        sha256 = "sha256-Ov5irNS/JETpEz01FIFNMs9YVmjGHL7lSXmDpgCdgao=";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
+        supportedCudaVersions = [ "11.0" "11.1" "11.2" "11.3" "11.4" "11.5" "11.6" "11.7" "11.8" ];
+      }
+      rec {
+        fileVersionCuda = "10.2";
+        fileVersionCudnn = "8.6";
+        fullVersion = "8.5.2.2";
+        sha256 = "sha256-UruwQShYcHLY5d81lKNG7XaoUsZr245c+PUpUN6pC5E=";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
+        supportedCudaVersions = [ "10.2" ];
+      }
+    ];
+    "8.5.1" = [
+      rec {
+        fileVersionCuda = "11.8";
+        fileVersionCudnn = "8.6";
+        fullVersion = "8.5.1.7";
+        sha256 = "sha256-Ocx/B3BX0TY3lOj/UcTPIaXb7M8RFrACC6Da4PMGMHY=";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
+        supportedCudaVersions = [ "11.0" "11.1" "11.2" "11.3" "11.4" "11.5" "11.6" "11.7" "11.8" ];
+      }
+      rec {
+        fileVersionCuda = "10.2";
+        fileVersionCudnn = "8.6";
+        fullVersion = "8.5.1.7";
+        sha256 = "sha256-CcFGJhw7nFdPnSYYSxcto2MHK3F84nLQlJYjdIw8dPM=";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
+        supportedCudaVersions = [ "10.2" ];
+      }
+    ];
     "8.4.0" = [
       rec {
         fileVersionCuda = "11.6";
         fileVersionCudnn = "8.3";
         fullVersion = "8.4.0.6";
         sha256 = "sha256-DNgHHXF/G4cK2nnOWImrPXAkOcNW6Wy+8j0LRpAH/LQ=";
-        tarball = "TensorRT-${fullVersion}.Linux.x86_64-gnu.cuda-${fileVersionCuda}.cudnn${fileVersionCudnn}.tar.gz";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
         supportedCudaVersions = [ "11.0" "11.1" "11.2" "11.3" "11.4" "11.5" "11.6" ];
       }
       rec {
@@ -42,7 +115,7 @@ final: prev: let
         fileVersionCudnn = "8.3";
         fullVersion = "8.4.0.6";
         sha256 = "sha256-aCzH0ZI6BrJ0v+e5Bnm7b8mNltA7NNuIa8qRKzAQv+I=";
-        tarball = "TensorRT-${fullVersion}.Linux.x86_64-gnu.cuda-${fileVersionCuda}.cudnn${fileVersionCudnn}.tar.gz";
+        tarball = tarballURL { inherit fileVersionCuda fileVersionCudnn fullVersion; };
         supportedCudaVersions = [ "10.2" ];
       }
     ];
@@ -58,6 +131,8 @@ final: prev: let
     "11.4" = "8.4.0";
     "11.5" = "8.4.0";
     "11.6" = "8.4.0";
-  }.${cudaVersion};
+    "11.7" = "8.5.3";
+    "11.8" = "8.5.3";
+  }.${cudaVersion} or "8.4.0";
 
 in tensorRTPackages
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tensorrt/generic.nix b/nixpkgs/pkgs/development/libraries/science/math/tensorrt/generic.nix
index 3447087051f1..165c6f356da8 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/tensorrt/generic.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/tensorrt/generic.nix
@@ -1,5 +1,5 @@
 { lib
-, stdenv
+, backendStdenv
 , requireFile
 , autoPatchelfHook
 , autoAddOpenGLRunpathHook
@@ -9,16 +9,16 @@
 }:
 
 { fullVersion
-, fileVersionCudnn
+, fileVersionCudnn ? null
 , tarball
 , sha256
 , supportedCudaVersions ? [ ]
 }:
 
-assert lib.assertMsg (lib.strings.versionAtLeast cudnn.version fileVersionCudnn)
+assert fileVersionCudnn == null || lib.assertMsg (lib.strings.versionAtLeast cudnn.version fileVersionCudnn)
   "This version of TensorRT requires at least cuDNN ${fileVersionCudnn} (current version is ${cudnn.version})";
 
-stdenv.mkDerivation rec {
+backendStdenv.mkDerivation rec {
   pname = "cudatoolkit-${cudatoolkit.majorVersion}-tensorrt";
   version = fullVersion;
   src = requireFile rec {
@@ -45,7 +45,7 @@ stdenv.mkDerivation rec {
 
   # Used by autoPatchelfHook
   buildInputs = [
-    cudatoolkit.cc.cc.lib # libstdc++
+    backendStdenv.cc.cc.lib # libstdc++
     cudatoolkit
     cudnn
   ];
@@ -74,6 +74,8 @@ stdenv.mkDerivation rec {
         "$out/lib/libnvinfer_builder_resource.so.${mostOfVersion}"
     '';
 
+  passthru.stdenv = backendStdenv;
+
   meta = with lib; {
     # Check that the cudatoolkit version satisfies our min/max constraints (both
     # inclusive). We mark the package as broken if it fails to satisfies the
diff --git a/nixpkgs/pkgs/development/libraries/science/math/tiny-cuda-nn/default.nix b/nixpkgs/pkgs/development/libraries/science/math/tiny-cuda-nn/default.nix
new file mode 100644
index 000000000000..ef501dfd09a0
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/math/tiny-cuda-nn/default.nix
@@ -0,0 +1,152 @@
+{ cmake
+, cudaPackages
+, fetchFromGitHub
+, lib
+, ninja
+, pkgs
+, python3Packages ? { }
+, pythonSupport ? false
+, stdenv
+, symlinkJoin
+, which
+}:
+let
+  inherit (lib) lists strings;
+  inherit (cudaPackages) backendStdenv cudaFlags;
+
+  cuda-common-redist = with cudaPackages; [
+    libcublas # cublas_v2.h
+    libcusolver # cusolverDn.h
+    libcusparse # cusparse.h
+  ];
+
+  cuda-native-redist = symlinkJoin {
+    name = "cuda-redist";
+    paths = with cudaPackages; [
+      cuda_cudart # cuda_runtime.h
+      cuda_nvcc
+    ] ++ cuda-common-redist;
+  };
+
+  cuda-redist = symlinkJoin {
+    name = "cuda-redist";
+    paths = cuda-common-redist;
+  };
+in
+stdenv.mkDerivation (finalAttrs: {
+  name = "tiny-cuda-nn";
+  version = "1.6";
+
+  format = strings.optionalString pythonSupport "setuptools";
+
+  src = fetchFromGitHub {
+    owner = "NVlabs";
+    repo = finalAttrs.name;
+    rev = "v${finalAttrs.version}";
+    fetchSubmodules = true;
+    hash = "sha256-qW6Fk2GB71fvZSsfu+mykabSxEKvaikZ/pQQZUycOy0=";
+  };
+
+  nativeBuildInputs = [
+    cmake
+    cuda-native-redist
+    ninja
+    which
+  ] ++ lists.optionals pythonSupport (with python3Packages; [
+    pip
+    setuptools
+    wheel
+  ]);
+
+  buildInputs = [
+    cuda-redist
+  ] ++ lib.optionals pythonSupport (
+    with python3Packages; [
+      pybind11
+      python
+    ]
+  );
+
+  propagatedBuildInputs = lib.optionals pythonSupport (
+    with python3Packages; [
+      torch
+    ]
+  );
+
+  # NOTE: We cannot use pythonImportsCheck for this module because it uses torch to immediately
+  #   initailize CUDA and GPU access is not allowed in the nix build environment.
+  # NOTE: There are no tests for the C++ library or the python bindings, so we just skip the check
+  #   phase -- we're not missing anything.
+  doCheck = false;
+
+  preConfigure = ''
+    export TCNN_CUDA_ARCHITECTURES=${
+      strings.concatStringsSep ";" (lists.map cudaFlags.dropDot cudaFlags.cudaCapabilities)
+    }
+    export CUDA_HOME=${cuda-native-redist}
+    export LIBRARY_PATH=${cuda-native-redist}/lib/stubs:$LIBRARY_PATH
+    export CC=${backendStdenv.cc}/bin/cc
+    export CXX=${backendStdenv.cc}/bin/c++
+  '';
+
+  # When building the python bindings, we cannot re-use the artifacts from the C++ build so we
+  # skip the CMake confurePhase and the buildPhase.
+  dontUseCmakeConfigure = pythonSupport;
+
+  # The configurePhase usually puts you in the build directory, so for the python bindings we
+  # need to change directories to the source directory.
+  configurePhase = strings.optionalString pythonSupport ''
+    runHook preConfigure
+    mkdir -p $NIX_BUILD_TOP/build
+    cd $NIX_BUILD_TOP/build
+    runHook postConfigure
+  '';
+
+  buildPhase = strings.optionalString pythonSupport ''
+    runHook preBuild
+    python -m pip wheel \
+      --no-build-isolation \
+      --no-clean \
+      --no-deps \
+      --no-index \
+      --verbose \
+      --wheel-dir $NIX_BUILD_TOP/build \
+      $NIX_BUILD_TOP/source/bindings/torch
+    runHook postBuild
+  '';
+
+  installPhase = ''
+    runHook preInstall
+    mkdir -p $out/lib
+  ''
+  # Installing the C++ library just requires copying the static library to the output directory
+  + strings.optionalString (!pythonSupport) ''
+    cp libtiny-cuda-nn.a $out/lib/
+  ''
+  # Installing the python bindings requires building the wheel and installing it
+  + strings.optionalString pythonSupport ''
+    python -m pip install \
+      --no-build-isolation \
+      --no-cache-dir \
+      --no-deps \
+      --no-index \
+      --no-warn-script-location \
+      --prefix="$out" \
+      --verbose \
+      ./*.whl
+  '' + ''
+    runHook postInstall
+  '';
+
+  passthru = {
+    inherit cudaPackages;
+  };
+
+  meta = with lib; {
+    description = "Lightning fast C++/CUDA neural network framework";
+    homepage = "https://github.com/NVlabs/tiny-cuda-nn";
+    license = licenses.bsd3;
+    maintainers = with maintainers; [ connorbaker ];
+    platforms = platforms.linux;
+  };
+})
diff --git a/nixpkgs/pkgs/development/libraries/science/math/zn_poly/default.nix b/nixpkgs/pkgs/development/libraries/science/math/zn_poly/default.nix
index 3ec97e4a288e..13344db9ebc3 100644
--- a/nixpkgs/pkgs/development/libraries/science/math/zn_poly/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/math/zn_poly/default.nix
@@ -35,7 +35,7 @@ stdenv.mkDerivation rec {
 
   makeFlags = [ "CC=${stdenv.cc.targetPrefix}cc" ];
 
-  # Tuning (either autotuning or with hand-written paramters) is possible
+  # Tuning (either autotuning or with hand-written parameters) is possible
   # but not implemented here.
   # It seems buggy anyways (see homepage).
   buildFlags = [ "all" "${libbasename}${libext}" ];
diff --git a/nixpkgs/pkgs/development/libraries/science/networking/ns-3/default.nix b/nixpkgs/pkgs/development/libraries/science/networking/ns-3/default.nix
index b9f7946f7161..0eba41234fd5 100644
--- a/nixpkgs/pkgs/development/libraries/science/networking/ns-3/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/networking/ns-3/default.nix
@@ -53,8 +53,8 @@ stdenv.mkDerivation rec {
 
   # ncurses is a hidden dependency of waf when checking python
   buildInputs = lib.optionals pythonSupport [ castxml ncurses ]
-    ++ lib.optional enableDoxygen [ doxygen graphviz imagemagick ]
-    ++ lib.optional withManual [ dia tetex ghostscript texlive.combined.scheme-medium ];
+    ++ lib.optionals enableDoxygen [ doxygen graphviz imagemagick ]
+    ++ lib.optionals withManual [ dia tetex ghostscript texlive.combined.scheme-medium ];
 
   propagatedBuildInputs = [ pythonEnv ];
 
@@ -101,11 +101,12 @@ stdenv.mkDerivation rec {
   hardeningDisable = [ "fortify" "strictoverflow"];
 
   meta = with lib; {
-    broken = (stdenv.isLinux && stdenv.isAarch64);
     homepage = "http://www.nsnam.org";
     license = licenses.gpl3;
     description = "A discrete time event network simulator";
     platforms = with platforms; unix;
     maintainers = with maintainers; [ teto rgrunbla ];
+    # never built on aarch64-darwin since first introduction in nixpkgs
+    broken = (stdenv.isDarwin && stdenv.isAarch64) || (stdenv.isLinux && stdenv.isAarch64);
   };
 }
diff --git a/nixpkgs/pkgs/development/libraries/science/robotics/ispike/default.nix b/nixpkgs/pkgs/development/libraries/science/robotics/ispike/default.nix
index b3eed2e326e6..28a38b7056dd 100644
--- a/nixpkgs/pkgs/development/libraries/science/robotics/ispike/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/robotics/ispike/default.nix
@@ -9,6 +9,10 @@ stdenv.mkDerivation rec {
     sha256 = "0khrxp43bi5kisr8j4lp9fl4r5marzf7b4inys62ac108sfb28lp";
   };
 
+  postPatch = ''
+    sed -i "1i #include <map>" include/iSpike/YarpConnection.hpp
+  '';
+
   nativeBuildInputs = [ cmake ];
   buildInputs = [ boost ];
 
@@ -16,7 +20,7 @@ stdenv.mkDerivation rec {
     description = "Spiking neural interface between iCub and a spiking neural simulator";
     homepage = "https://sourceforge.net/projects/ispike/";
     license = lib.licenses.lgpl3;
-    platforms = lib.platforms.linux;
+    platforms = lib.platforms.unix;
     maintainers = [ lib.maintainers.nico202 ];
   };
 }
author	Alyssa Ross <hi@alyssa.is>	2023-06-16 06:56:35 +0000
committer	Alyssa Ross <hi@alyssa.is>	2023-06-16 06:56:35 +0000
commit	99fcaeccb89621dd492203ce1f2d551c06f228ed (patch)
tree	41cb730ae07383004789779b0f6e11cb3f4642a3 /nixpkgs/pkgs/development/libraries/science
parent	59c5f5ac8682acc13bb22bc29c7cf02f7d75f01f (diff)
parent	75a5ebf473cd60148ba9aec0d219f72e5cf52519 (diff)
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