Merge pull request #129085 from Mic92/lammps-cython

lammps-cython: remove
This commit is contained in:
Jörg Thalheim 2021-07-03 11:19:07 +01:00 committed by GitHub
commit 279009b42d
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3 changed files with 0 additions and 109 deletions

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@ -1,52 +0,0 @@
{ lib
, fetchPypi
, buildPythonPackage
, pymatgen
, marshmallow
, pyyaml
, pygmo
, pandas
, scipy
, numpy
, scikit-learn
, lammps-cython
, pymatgen-lammps
, pytestrunner
, isPy3k
}:
buildPythonPackage rec {
pname = "dftfit";
version = "0.5.1";
disabled = (!isPy3k);
src = fetchPypi {
inherit pname version;
sha256 = "4dcbde48948835dcf2d49d6628c9df5747a8ec505d517e374b8d6c7fe95892df";
};
buildInputs = [ pytestrunner ];
propagatedBuildInputs = [
pymatgen
marshmallow
pyyaml
pygmo
pandas
scipy
numpy
scikit-learn
lammps-cython
pymatgen-lammps
];
# tests require git lfs download. and is quite large so skip tests
doCheck = false;
pythonImportsCheck = [ "dftfit" ];
meta = {
description = "Ab-Initio Molecular Dynamics Potential Development";
homepage = "https://gitlab.com/costrouc/dftfit";
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ costrouc ];
};
}

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@ -1,53 +0,0 @@
{ lib
, fetchurl
, buildPythonPackage
, lammps-mpi
, mpi
, mpi4py
, numpy
, cython
, pymatgen
, ase
, pytestrunner
, isPy3k
}:
buildPythonPackage rec {
pname = "lammps-cython";
version = "0.5.7";
disabled = (!isPy3k);
src = fetchurl {
url = "https://gitlab.com/costrouc/${pname}/-/archive/v${version}/${pname}-v${version}.tar.gz";
sha256 = "1wj9scmjdl00af13b5ihfccrjpikrdgkzd88ialam1nkxvxi42bl";
};
buildInputs = [ cython pytestrunner ];
propagatedBuildInputs = [ mpi4py pymatgen ase numpy ];
preBuild = ''
echo "Creating lammps.cfg file..."
cat << EOF > lammps.cfg
[lammps]
lammps_include_dir = ${lammps-mpi}/include
lammps_library_dir = ${lammps-mpi}/lib
lammps_library = lammps_mpi
[mpi]
mpi_include_dir = ${mpi}/include
mpi_library_dir = ${mpi}/lib
mpi_library = mpi
EOF
'';
pythonImportsCheck = [ "lammps" ];
meta = {
description = "Pythonic Wrapper to LAMMPS using cython";
homepage = "https://gitlab.com/costrouc/lammps-cython";
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ costrouc ];
# fails import check
broken = true;
};
}

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@ -1905,8 +1905,6 @@ in {
devpi-common = callPackage ../development/python-modules/devpi-common { };
dftfit = callPackage ../development/python-modules/dftfit { };
diagrams = callPackage ../development/python-modules/diagrams { };
diceware = callPackage ../development/python-modules/diceware { };
@ -3914,8 +3912,6 @@ in {
labmath = callPackage ../development/python-modules/labmath { };
lammps-cython = callPackage ../development/python-modules/lammps-cython { };
langcodes = callPackage ../development/python-modules/langcodes { };
langdetect = callPackage ../development/python-modules/langdetect { };