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nouvelles options gromacs
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@ -232,6 +232,9 @@
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"-DGMX_MPI=on"
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"-DGMX_MPI=on"
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"-DCMAKE_C_COMPILER=mpicc"
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"-DCMAKE_C_COMPILER=mpicc"
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"-DCMAKE_CXX_COMPILER=mpicxx"
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"-DCMAKE_CXX_COMPILER=mpicxx"
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"-DGMX_DOUBLE=off"
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"-DGMX_OPENMP=on"
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"-DGMX_SIMD=AVX2_256"
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(string-append "-DTinyXML2_DIR="
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(string-append "-DTinyXML2_DIR="
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(assoc-ref %build-inputs "tinyxml2"))
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(assoc-ref %build-inputs "tinyxml2"))
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;; Workaround for cmake/FindSphinx.cmake version parsing that does
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;; Workaround for cmake/FindSphinx.cmake version parsing that does
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