treewide: fix *Flags

This commit is contained in:
Robin Gloster
2019-12-30 04:50:37 +01:00
committed by Jan Tojnar
parent 20b02b80aa
commit ac8eaa8507
26 changed files with 107 additions and 99 deletions
@@ -1,4 +1,6 @@
{ stdenv, fetchurl, cmake
{ stdenv
, fetchurl
, cmake
, singlePrec ? true
, mpiEnabled ? false
, fftw
@@ -6,7 +8,6 @@
, perl
}:
stdenv.mkDerivation {
name = "gromacs-2019.4";
@@ -19,18 +20,27 @@ stdenv.mkDerivation {
buildInputs = [ fftw perl ]
++ (stdenv.lib.optionals mpiEnabled [ openmpi ]);
cmakeFlags = ''
${if singlePrec then "-DGMX_DOUBLE=OFF" else "-DGMX_DOUBLE=ON -DGMX_DEFAULT_SUFFIX=OFF"}
${if mpiEnabled then "-DGMX_MPI:BOOL=TRUE
-DGMX_CPU_ACCELERATION:STRING=SSE4.1
-DGMX_OPENMP:BOOL=TRUE
-DGMX_THREAD_MPI:BOOL=FALSE"
else "-DGMX_MPI:BOOL=FALSE" }
'';
cmakeFlags = (
if singlePrec then [
"-DGMX_DOUBLE=OFF"
] else [
"-DGMX_DOUBLE=ON"
"-DGMX_DEFAULT_SUFFIX=OFF"
]
) ++ (
if mpiEnabled then [
"-DGMX_MPI:BOOL=TRUE"
"-DGMX_CPU_ACCELERATION:STRING=SSE4.1"
"-DGMX_OPENMP:BOOL=TRUE"
"-DGMX_THREAD_MPI:BOOL=FALSE"
] else [
"-DGMX_MPI:BOOL=FALSE"
]
);
meta = with stdenv.lib; {
homepage = "http://www.gromacs.org";
license = licenses.gpl2;
homepage = "http://www.gromacs.org";
license = licenses.gpl2;
description = "Molecular dynamics software package";
longDescription = ''
GROMACS is a versatile package to perform molecular dynamics,