a19cd4ffb1
This reverts commit 65a333600d5c88a98d674f637d092807cfc12253. This wasn't tested for correctness with something like fodwatch [0], and should not have been (self-)merged so quickly, especially without further review. It also resulted in the breakage of at least one package [1] (and that's the one we know of and was caught). A few packages that were updated in between this commit and this revert were not reverted back to using `rev`, but other than that, this is a 1:1 revert. [0]: https://codeberg.org/raphaelr/fodwatch [1]: https://github.com/NixOS/nixpkgs/pull/396904 / 758551e4587d75882aebc21a04bee960418f8ce9
80 lines
1.3 KiB
Nix
80 lines
1.3 KiB
Nix
{
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stdenv,
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lib,
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fetchFromGitHub,
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gfortran,
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meson,
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ninja,
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pkg-config,
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python3,
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blas,
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lapack,
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mctc-lib,
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mstore,
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multicharge,
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}:
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assert !blas.isILP64 && !lapack.isILP64;
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stdenv.mkDerivation rec {
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pname = "dftd4";
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version = "3.7.0";
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src = fetchFromGitHub {
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owner = "dftd4";
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repo = "dftd4";
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rev = "v${version}";
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hash = "sha256-dixPCLH5dWkE2/7ghGEXJmX2/g1DN30dB4jX2d7fmio=";
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};
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patches = [
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# Make sure fortran headers are installed directly in /include
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./fortran-module-dir.patch
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];
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nativeBuildInputs = [
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gfortran
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meson
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ninja
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pkg-config
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python3
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];
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buildInputs = [
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blas
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lapack
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mctc-lib
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mstore
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multicharge
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];
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outputs = [
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"out"
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"dev"
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];
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doCheck = true;
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postPatch = ''
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patchShebangs --build \
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config/install-mod.py \
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app/tester.py
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'';
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preCheck = ''
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export OMP_NUM_THREADS=2
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'';
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meta = with lib; {
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description = "Generally Applicable Atomic-Charge Dependent London Dispersion Correction";
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mainProgram = "dftd4";
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license = with licenses; [
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lgpl3Plus
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gpl3Plus
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];
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homepage = "https://github.com/grimme-lab/dftd4";
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platforms = platforms.linux;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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