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author | Alyssa Ross <hi@alyssa.is> | 2024-04-10 20:43:08 +0200 |
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committer | Alyssa Ross <hi@alyssa.is> | 2024-04-10 20:43:08 +0200 |
commit | 69bfdf2484041b9d242840c4e5017b4703383bb0 (patch) | |
tree | d8bdaa69e7990d7d6f09b594b3c425f742acd2d0 /nixpkgs/pkgs/development/libraries/science | |
parent | c8aee4b4363b6bf905a521b05b7476960e8286c8 (diff) | |
parent | d8fe5e6c92d0d190646fb9f1056741a229980089 (diff) | |
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Merge commit 'd8fe5e6c'
Conflicts: nixpkgs/pkgs/build-support/go/module.nix
Diffstat (limited to 'nixpkgs/pkgs/development/libraries/science')
12 files changed, 108 insertions, 119 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix b/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix index 19fb83ca78be..d19dd2788745 100644 --- a/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/astronomy/libxisf/default.nix @@ -11,14 +11,14 @@ stdenv.mkDerivation (finalAttrs: { pname = "libxisf"; - version = "0.2.11"; + version = "0.2.12"; src = fetchFromGitea { domain = "gitea.nouspiro.space"; owner = "nou"; repo = "libXISF"; rev = "v${finalAttrs.version}"; - hash = "sha256-wXIbU9/xUyECluL6k1oKS3NBpoC/qjQdW9e485qmlgo="; + hash = "sha256-QhshgKyf9s5U5JMa5TZelIo1tpJGlsOQePPG1kEfbq8="; }; patches = [ diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix index 087c6e7d01de..ea7aafd156ae 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix @@ -1,8 +1,11 @@ { stdenv , lib , fetchFromGitHub -, cmake , gfortran +, meson +, ninja +, pkg-config +, python3 , blas , lapack , mctc-lib @@ -23,23 +26,20 @@ stdenv.mkDerivation rec { hash = "sha256-VIV9953hx0MZupOARdH+P1h7JtZeJmTlqtO8si+lwdU="; }; - nativeBuildInputs = [ cmake gfortran ]; + nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ]; buildInputs = [ blas lapack mctc-lib mstore multicharge ]; outputs = [ "out" "dev" ]; - # Fix the Pkg-Config files for doubled store paths + doCheck = true; + postPatch = '' - substituteInPlace config/template.pc \ - --replace "\''${prefix}/" "" + patchShebangs --build \ + config/install-mod.py \ + app/tester.py ''; - cmakeFlags = [ - "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}" - ]; - - doCheck = true; preCheck = '' export OMP_NUM_THREADS=2 ''; diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix index a8c27b3eec56..58c1fdaf04e2 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix @@ -2,9 +2,11 @@ , lib , fetchFromGitHub , gfortran +, meson +, ninja , pkg-config +, python3 , json-fortran -, cmake }: stdenv.mkDerivation rec { @@ -18,24 +20,18 @@ stdenv.mkDerivation rec { hash = "sha256-AXjg/ZsitdDf9fNoGVmVal1iZ4/sxjJb7A9W4yye/rg="; }; - nativeBuildInputs = [ gfortran pkg-config cmake ]; + nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ]; buildInputs = [ json-fortran ]; outputs = [ "out" "dev" ]; - # Fix the Pkg-Config files for doubled store paths + doCheck = true; + postPatch = '' - substituteInPlace config/template.pc \ - --replace "\''${prefix}/" "" + patchShebangs --build config/install-mod.py ''; - cmakeFlags = [ - "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}" - ]; - - doCheck = true; - meta = with lib; { description = "Modular computation tool chain library"; mainProgram = "mctc-convert"; diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix index 948d11435461..e187a9a9833f 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix @@ -1,8 +1,11 @@ { stdenv , lib , fetchFromGitHub -, cmake , gfortran +, meson +, ninja +, pkg-config +, python3 , mctc-lib }: @@ -17,22 +20,16 @@ stdenv.mkDerivation rec { hash = "sha256-dN2BulLS/ENRFVdJIrZRxgBV8S4d5+7BjTCGnhBbf4I="; }; - nativeBuildInputs = [ cmake gfortran ]; + nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ]; buildInputs = [ mctc-lib ]; outputs = [ "out" "dev" ]; - # Fix the Pkg-Config files for doubled store paths postPatch = '' - substituteInPlace config/template.pc \ - --replace "\''${prefix}/" "" + patchShebangs --build config/install-mod.py ''; - cmakeFlags = [ - "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}" - ]; - meta = with lib; { description = "Molecular structure store for testing"; license = licenses.asl20; diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix index 020390737139..3660705242f6 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix @@ -1,8 +1,12 @@ { stdenv , lib , fetchFromGitHub -, cmake +, fetchpatch2 , gfortran +, meson +, ninja +, pkg-config +, python3 , blas , lapack , mctc-lib @@ -22,23 +26,28 @@ stdenv.mkDerivation rec { hash = "sha256-oUI5x5/Gd0EZBb1w+0jlJUF9X51FnkHFu8H7KctqXl0="; }; - nativeBuildInputs = [ cmake gfortran ]; + patches = [ + # Fix finding of MKL for Intel 2021 and newer + # Also fix finding mstore + # https://github.com/grimme-lab/multicharge/pull/20 + (fetchpatch2 { + url = "https://github.com/grimme-lab/multicharge/commit/98a11ac524cd2a1bd9e2aeb8f4429adb2d76ee8.patch"; + hash = "sha256-zZ2pcbyaHjN2ZxpMhlqUtIXImrVsLk/8WIcb9IYPgBw="; + }) + ]; + + nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ]; buildInputs = [ blas lapack mctc-lib mstore ]; outputs = [ "out" "dev" ]; - # Fix the Pkg-Config files for doubled store paths + doCheck = true; + postPatch = '' - substituteInPlace config/template.pc \ - --replace "\''${prefix}/" "" + patchShebangs --build config/install-mod.py ''; - cmakeFlags = [ - "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}" - ]; - - doCheck = true; preCheck = '' export OMP_NUM_THREADS=2 ''; diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix index d4f81e3a24cb..eb8fa56455e4 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix @@ -2,7 +2,9 @@ , lib , fetchFromGitHub , gfortran -, cmake +, meson +, ninja +, pkg-config , mctc-lib , mstore , toml-f @@ -22,21 +24,12 @@ stdenv.mkDerivation rec { hash = "sha256-dfXiKKCGJ69aExSKpVC3Bp//COy256R9PDyxCNmDsfo="; }; - nativeBuildInputs = [ cmake gfortran ]; + nativeBuildInputs = [ gfortran meson ninja pkg-config ]; buildInputs = [ mctc-lib mstore toml-f blas ]; outputs = [ "out" "dev" ]; - # Fix the Pkg-Config files for doubled store paths - postPatch = '' - substituteInPlace config/template.pc \ - --replace "\''${prefix}/" "" - ''; - cmakeFlags = [ - "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}" - ]; - doCheck = true; preCheck = '' export OMP_NUM_THREADS=2 @@ -47,7 +40,7 @@ stdenv.mkDerivation rec { mainProgram = "s-dftd3"; license = with licenses; [ lgpl3Only gpl3Only ]; homepage = "https://github.com/dftd3/simple-dftd3"; - platforms = [ "x86_64-linux" ]; + platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; } diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix index 64374972c295..4f8c43a08e49 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix @@ -2,8 +2,10 @@ , lib , fetchFromGitHub , fetchpatch -, cmake , gfortran +, meson +, ninja +, pkg-config , blas , lapack , mctc-lib @@ -35,13 +37,12 @@ stdenv.mkDerivation rec { }) ]; - # Fix the Pkg-Config files for doubled store paths - postPatch = '' - substituteInPlace config/template.pc \ - --replace "\''${prefix}/" "" - ''; - - nativeBuildInputs = [ cmake gfortran ]; + nativeBuildInputs = [ + gfortran + meson + ninja + pkg-config + ]; buildInputs = [ blas @@ -56,10 +57,6 @@ stdenv.mkDerivation rec { outputs = [ "out" "dev" ]; - cmakeFlags = [ - "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}" - ]; - doCheck = true; preCheck = '' export OMP_NUM_THREADS=2 diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix index 3a72cfaaa6a3..cfe8668204e2 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/python.nix @@ -1,4 +1,6 @@ -{ buildPythonPackage +{ lib +, buildPythonPackage +, pythonAtLeast , fetchpatch , meson , ninja @@ -15,6 +17,7 @@ , toml-f , multicharge , dftd4 +, setuptools }: buildPythonPackage { @@ -27,6 +30,8 @@ buildPythonPackage { pkg-config gfortran mctc-lib + ] ++ lib.optionals (pythonAtLeast "3.12") [ + setuptools ]; buildInputs = [ diff --git a/nixpkgs/pkgs/development/libraries/science/math/flintqs/default.nix b/nixpkgs/pkgs/development/libraries/science/math/flintqs/default.nix deleted file mode 100644 index c5426ed67fc7..000000000000 --- a/nixpkgs/pkgs/development/libraries/science/math/flintqs/default.nix +++ /dev/null @@ -1,40 +0,0 @@ -{ lib, stdenv -, fetchFromGitHub -, autoreconfHook -, gmp -}: - -stdenv.mkDerivation rec { - version = "1.0"; - pname = "flintqs"; - - src = fetchFromGitHub { - owner = "sagemath"; - repo = "FlintQS"; - rev = "v${version}"; - sha256 = "1f0lnayz6j6qgasx8pbq61d2fqam0wwhsmh6h15l4vq58l1vvbwj"; - }; - - preAutoreconf = '' - touch ChangeLog - ''; - - buildInputs = [ - gmp - ]; - - nativeBuildInputs = [ - autoreconfHook - ]; - - doCheck = true; - - meta = with lib; { - description = "Highly optimized multi-polynomial quadratic sieve for integer factorization"; - homepage = "https://github.com/sagemath/FlintQS"; - license = with licenses; [ gpl2 ]; - maintainers = teams.sage.members; - mainProgram = "QuadraticSieve"; - platforms = platforms.all; - }; -} diff --git a/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix b/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix index 214f27046527..ac513297f159 100644 --- a/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/math/m4rie/default.nix @@ -21,6 +21,9 @@ stdenv.mkDerivation rec { m4ri ]; + # does not compile correctly with -O2 on LLVM clang; see + # https://bitbucket.org/malb/m4rie/issues/23/trying-to-compile-on-apple-m1 + makeFlags = [] ++ lib.optionals stdenv.isDarwin [ "CFLAGS=-O0" ]; nativeBuildInputs = [ autoreconfHook ]; @@ -35,7 +38,5 @@ 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/rubiks/default.nix b/nixpkgs/pkgs/development/libraries/science/math/rubiks/default.nix index 505457edd64f..8f3fbe345126 100644 --- a/nixpkgs/pkgs/development/libraries/science/math/rubiks/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/math/rubiks/default.nix @@ -2,6 +2,7 @@ , fetchurl , fetchpatch , coreutils +, dos2unix }: stdenv.mkDerivation rec { @@ -24,24 +25,54 @@ stdenv.mkDerivation rec { "PREFIX=$(out)" ]; + nativeBuildInputs = [ dos2unix ]; + + prePatch = '' + find ./dietz/ -type f -exec dos2unix {} \; + ''; + patches = [ # Fix makefiles which use all the variables in all the wrong ways and # hardcode values for some variables. (fetchpatch { - url = "https://raw.githubusercontent.com/sagemath/sage/07d6c37d18811e2b377a9689790a7c5e24da16ba/build/pkgs/rubiks/patches/dietz-cu2-Makefile.patch"; - sha256 = "1ry3w1mk9q4jqd91zlaa1bdiiplld4hpfjaldbhlmzlgrrc99qmq"; + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/dietz-cu2-Makefile.patch"; + sha256 = "bRU7MJ/6BgCp2PUqZOragJhm38Q3E8ShStXQIYwIjvw="; + }) + (fetchpatch { + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/dietz-mcube-Makefile.patch"; + sha256 = "f53z4DogXKax1vUNkraOTt3TQ4bvT7CdQK/hOaaBS38="; + }) + (fetchpatch { + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/dietz-solver-Makefile.patch"; + sha256 = "7gMC8y9elyIy2KvXYcp7YjPBNqn9PVhUle+/GrYAAdE="; + }) + (fetchpatch { + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/reid-Makefile.patch"; + sha256 = "rp3SYtx02vVBtSlg1vJpdIoXNcdBNKDLCLqLAKwOYeQ="; + }) + (fetchpatch { + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/fedora-1-rubiks-includes.patch"; + sha256 = "QYJ1KQ73HTEGY/beMVbcU215g/B8rHDjYD1YM2WZ7sk="; + }) + (fetchpatch { + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/fedora-2-rubiks-ansi-c.patch"; + sha256 = "Rnu7uphE9URxnbg2K8mkymnB61magweH+WxVWR9JC4s="; + }) + (fetchpatch { + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/fedora-3-rubiks-prototypes.patch"; + sha256 = "Wi038g+y7No1TNMiITtAdipjRi0+g6h0Sspslm5rZGU="; }) (fetchpatch { - url = "https://raw.githubusercontent.com/sagemath/sage/07d6c37d18811e2b377a9689790a7c5e24da16ba/build/pkgs/rubiks/patches/dietz-mcube-Makefile.patch"; - sha256 = "0zsbh6k3kqdg82fv0kzghr1x7pafisv943gmssqscp107bhg77bz"; + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/fedora-4-rubiks-longtype.patch"; + sha256 = "6pNuxFM69CZ/TQGZfHXLlCN5g5lf3RiYYZKzMvLJwkw="; }) (fetchpatch { - url = "https://raw.githubusercontent.com/sagemath/sage/07d6c37d18811e2b377a9689790a7c5e24da16ba/build/pkgs/rubiks/patches/dietz-solver-Makefile.patch"; - sha256 = "0vhw70ylnmydgjhwx8jjlb2slccj4pfqn6vzirkyz1wp8apsmfhp"; + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/fedora-5-rubiks-signed.patch"; + sha256 = "CCGXBMYvSjTm4YKQZAQMi6pWGjyHDYYQzdMZDSW2vFE="; }) (fetchpatch { - url = "https://raw.githubusercontent.com/sagemath/sage/07d6c37d18811e2b377a9689790a7c5e24da16ba/build/pkgs/rubiks/patches/reid-Makefile.patch"; - sha256 = "1r311sn012xs135s0d21qwsig2kld7rdcq19nm0zbnklviid57df"; + url = "https://raw.githubusercontent.com/sagemath/sage/2a9a4267f93588cf33119cbacc032ed9acc433e5/build/pkgs/rubiks/patches/fedora-6-rubiks-attributes.patch"; + sha256 = "RhlzMb33iaLfeBoF7Y0LIgEzOB/EC+AoWMSkRPCICaU="; }) ]; 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 ac08cb876253..84949e0a5344 100644 --- a/nixpkgs/pkgs/development/libraries/science/math/suitesparse-graphblas/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/math/suitesparse-graphblas/default.nix @@ -7,7 +7,7 @@ stdenv.mkDerivation rec { pname = "suitesparse-graphblas"; - version = "9.0.3"; + version = "9.1.0"; outputs = [ "out" "dev" ]; @@ -15,7 +15,7 @@ stdenv.mkDerivation rec { owner = "DrTimothyAldenDavis"; repo = "GraphBLAS"; rev = "v${version}"; - hash = "sha256-qRRrxMshLLEltCzXFv/j6NgRi6x1SHlAuKG5NfLiBFs="; + hash = "sha256-YK0REOqoNa55tQt6NH/0QQ07pzAImDR5kC00sbFILH8="; }; nativeBuildInputs = [ |