pyrox.dev
lol
python310Packages.atsim_potentials: Unbreak package
+30
-17
pkgs/development/python-modules/atsim_potentials/default.nix
+30
-17
pkgs/development/python-modules/atsim_potentials/default.nix
···
1
{ lib
2
, buildPythonPackage
3
-
, fetchPypi
4
, configparser
5
, pyparsing
6
-
, pytest
7
, future
8
, openpyxl
9
, wrapt
10
}:
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buildPythonPackage rec {
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version = "0.4.0";
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-
pname = "atsim.potentials";
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src = fetchPypi {
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inherit pname version;
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sha256 = "0c3e4e2323e969880f17a9924642e0991be5761f50b254bcbadd046db3be6390";
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};
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-
checkInputs = [ pytest ];
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propagatedBuildInputs = [
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configparser
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future
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openpyxl
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pyparsing
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wrapt
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];
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-
postPatch = ''
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-
substituteInPlace setup.py \
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--replace "wrapt==1.11.2" "wrapt~=1.11"
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'';
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# tests are not included with release
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doCheck = false;
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checkPhase = ''
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py.test
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'';
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meta = with lib; {
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homepage = "https://github.com/mjdrushton/atsim-potentials";
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description = "Provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS";
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license = licenses.mit;
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maintainers = [ maintainers.costrouc ];
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-
broken = true; # missing cexprtk package
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};
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}
···
1
{ lib
2
, buildPythonPackage
3
+
, fetchFromGitHub
4
, configparser
5
, pyparsing
6
+
, pytestCheckHook
7
, future
8
, openpyxl
9
, wrapt
10
+
, scipy
11
+
, cexprtk
12
+
, deepdiff
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+
, sympy
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}:
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buildPythonPackage rec {
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version = "0.4.0";
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+
pname = "atsim-potentials";
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+
src = fetchFromGitHub {
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+
owner = "mjdrushton";
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+
repo = pname;
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+
rev = version;
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+
sha256 = "sha256-MwjRVd54qa8uJOi9yRXU+Vrve50ndftJUl+TFZKVzQM=";
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};
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+
postPatch = ''
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+
# Remove conflicting openpyxl dependency version check
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+
sed -i '/openpyxl==2.6.4/d' setup.py
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+
'';
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+
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propagatedBuildInputs = [
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+
cexprtk
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configparser
35
future
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openpyxl
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pyparsing
38
+
scipy
39
+
sympy
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wrapt
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];
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+
checkInputs = [
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+
deepdiff
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+
pytestCheckHook
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+
];
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+
disabledTests = [
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+
# Missing lammps executable
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+
"eam_tabulate_example2TestCase"
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+
"test_pymath"
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+
];
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+
pythonImportsCheck = [ "atsim.potentials" ];
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meta = with lib; {
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homepage = "https://github.com/mjdrushton/atsim-potentials";
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description = "Provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS";
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license = licenses.mit;
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maintainers = [ maintainers.costrouc ];
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};
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}