lammps: use PYTHON package by default
Makes this warning by PyLammps go away: > WARNING: run thermo data not captured since PYTHON LAMMPS package is not enabled
This commit is contained in:
@@ -6,6 +6,7 @@
|
||||
, fftw
|
||||
, blas
|
||||
, lapack
|
||||
, python3
|
||||
, cmake
|
||||
, autoAddDriverRunpath
|
||||
, pkg-config
|
||||
@@ -36,6 +37,7 @@
|
||||
ML-SNAP = true;
|
||||
SRD = true;
|
||||
REAXFF = true;
|
||||
PYTHON = true;
|
||||
}
|
||||
# Extra cmakeFlags to add as "-D${attr}=${value}"
|
||||
, extraCmakeFlags ? {}
|
||||
@@ -87,7 +89,7 @@ stdenv.mkDerivation (finalAttrs: {
|
||||
blas
|
||||
lapack
|
||||
gzip
|
||||
] ++ extraBuildInputs
|
||||
] ++ lib.optionals packages.PYTHON [ python3 ] ++ extraBuildInputs
|
||||
;
|
||||
|
||||
postInstall = ''
|
||||
|
||||
Reference in New Issue
Block a user