@@ -11,19 +11,24 @@ class Gromacs < Formula
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end
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bottle do
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- sha256 arm64_sequoia : "44f56f6256f9fa1fef887b7049692de7a76aab4fcdc184da7874e5cb38e1cddc"
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- sha256 arm64_sonoma : "b2a693c17dca973a459496021fa1bd83d25c361af9438cba5ba1d395cc6d5daf"
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- sha256 arm64_ventura : "cc397203c9c8b1951205e6a28670f072b4103fc29b30586bd636dacf7d22d2d1"
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- sha256 sonoma : "8eec8e174badc80050dc8039f075fc048ced62a312b525dc9b2149893aa18a53"
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- sha256 ventura : "6823221c0eee4ecbf4c0f4df722a42f993a7d3c1e6d6f8ab6a52efbbb84128fc"
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- sha256 x86_64_linux : "14733c2fbae27301cefcb3ac77cccd2699a46223f2fdb9fe6782661baa10c19d"
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+ rebuild 1
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+ sha256 arm64_sequoia : "1ef7ef8b8e243845125d8f54459af0bbeecd2d0cd2c9e6e2196168b1f807dd60"
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+ sha256 arm64_sonoma : "f3c88c1d78f055ea70e2f160ce4110620ff3cd51e8d93a5d9d37f0998a586ed8"
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+ sha256 arm64_ventura : "fd6e5a07ba953b529a496015349cecd5c9ad6b1d66c0e0ce2b94be08d2b9851a"
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+ sha256 sonoma : "a3817d56bd459fa7ec6aec143865493806c933d34bddbf27156223934609bc84"
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+ sha256 ventura : "c945a81d50d997c833cb02b5b3fcc872224c2f8ad65dd7ada892501ee8d95ce5"
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+ sha256 x86_64_linux : "68111b0a4216477e6a041cf034de48e8d1b2e720943a816868100b2b7f9371b6"
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end
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depends_on "cmake" => :build
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+ depends_on "pkgconf" => :build
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depends_on "fftw"
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depends_on "gcc" # for OpenMP
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+ depends_on "lmfit"
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depends_on "openblas"
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+ uses_from_macos "zlib"
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+
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fails_with :clang
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def install
@@ -52,6 +57,8 @@ def install
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-DGROMACS_CXX_COMPILER=#{ cxx }
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-DGMX_VERSION_STRING_OF_FORK=#{ tap . user }
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-DGMX_INSTALL_LEGACY_API=ON
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+ -DGMX_EXTERNAL_ZLIB=ON
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+ -DGMX_USE_LMFIT=EXTERNAL
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]
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# Force SSE2/SSE4.1 for compatibility when building Intel bottles
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