treewide: fix *Flags
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@@ -1,4 +1,6 @@
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{ stdenv, fetchurl, cmake
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{ stdenv
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, fetchurl
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, cmake
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, singlePrec ? true
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, mpiEnabled ? false
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, fftw
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@@ -6,7 +8,6 @@
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, perl
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}:
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stdenv.mkDerivation {
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name = "gromacs-2019.4";
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@@ -19,18 +20,27 @@ stdenv.mkDerivation {
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buildInputs = [ fftw perl ]
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++ (stdenv.lib.optionals mpiEnabled [ openmpi ]);
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cmakeFlags = ''
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${if singlePrec then "-DGMX_DOUBLE=OFF" else "-DGMX_DOUBLE=ON -DGMX_DEFAULT_SUFFIX=OFF"}
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${if mpiEnabled then "-DGMX_MPI:BOOL=TRUE
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-DGMX_CPU_ACCELERATION:STRING=SSE4.1
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-DGMX_OPENMP:BOOL=TRUE
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-DGMX_THREAD_MPI:BOOL=FALSE"
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else "-DGMX_MPI:BOOL=FALSE" }
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'';
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cmakeFlags = (
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if singlePrec then [
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"-DGMX_DOUBLE=OFF"
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] else [
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"-DGMX_DOUBLE=ON"
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"-DGMX_DEFAULT_SUFFIX=OFF"
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]
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) ++ (
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if mpiEnabled then [
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"-DGMX_MPI:BOOL=TRUE"
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"-DGMX_CPU_ACCELERATION:STRING=SSE4.1"
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"-DGMX_OPENMP:BOOL=TRUE"
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"-DGMX_THREAD_MPI:BOOL=FALSE"
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] else [
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"-DGMX_MPI:BOOL=FALSE"
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]
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);
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meta = with stdenv.lib; {
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homepage = "http://www.gromacs.org";
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license = licenses.gpl2;
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homepage = "http://www.gromacs.org";
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license = licenses.gpl2;
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description = "Molecular dynamics software package";
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longDescription = ''
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GROMACS is a versatile package to perform molecular dynamics,
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