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@ -7,7 +7,7 @@ |
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assert blas.implementation == "openblas" && lapack.implementation == "openblas"; |
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let |
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version = "19.11"; |
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version = "20.10"; |
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gitLabRev = "v${version}"; |
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python = python3.withPackages (ps : with ps; [ six pyparsing ]); |
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@ -20,18 +20,13 @@ in stdenv.mkDerivation { |
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owner = "Molcas"; |
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repo = "OpenMolcas"; |
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rev = gitLabRev; |
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sha256 = "1wwqhkyyi7pw5x1ghnp83ir17zl5jsj7phhqxapybyi3bmg0i00q"; |
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sha256 = "1w8av44dx5r9yp2xhf9ypdrhappvk984wrd5pa1ww0qv6j2446ic"; |
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}; |
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patches = [ (fetchpatch { |
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name = "Fix-MPI-INT-size"; # upstream patch, fixes a Fortran compiler error |
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url = "https://gitlab.com/Molcas/OpenMolcas/commit/860e3350523f05ab18e49a428febac8a4297b6e4.patch"; |
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sha256 = "0h96h5ikbi5l6ky41nkxmxfhjiykkiifq7vc2s3fdy1r1siv09sb"; |
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}) (fetchpatch { |
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name = "fix-cisandbox"; # upstream patch, fixes a Fortran compiler error |
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url = "https://gitlab.com/Molcas/OpenMolcas/commit/d871590c8ce4689cd94cdbbc618954c65589393d.patch"; |
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sha256 = "0dgz1w2rkglnis76spai3m51qa72j4bz6ppnk5zmzrr6ql7gwpgg"; |
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})]; |
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patches = [ |
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# Required to handle openblas multiple outputs |
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./openblasPath.patch |
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]; |
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nativeBuildInputs = [ perl cmake texlive.combined.scheme-minimal makeWrapper ]; |
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buildInputs = [ |
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@ -55,7 +50,7 @@ in stdenv.mkDerivation { |
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"-DTOOLS=ON" |
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"-DHDF5=ON" |
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"-DFDE=ON" |
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"-DOPENBLASROOT=${openblas}" |
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"-DOPENBLASROOT=${openblas.dev}" |
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]; |
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GAROOT=globalarrays; |
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