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Merge pull request #166860 from fabaff/bump-potentials

python3Packages.potentials: 0.3.2 -> 0.3.3

authored by

Fabian Affolter and committed by
GitHub 30bdb6a5 ce16bc1d

+90 -17
unified split
+13 -5
pkgs/development/python-modules/atomman/default.nix
··· 1 1 { lib 2 + , ase 2 3 , buildPythonPackage 3 4 , cython 4 5 , datamodeldict ··· 7 8 , numericalunits 8 9 , numpy 9 10 , pandas 11 + , phonopy 10 12 , potentials 13 + , pymatgen 11 14 , pytest 12 15 , pythonOlder 16 + , requests 13 17 , scipy 14 18 , toolz 15 19 , xmltodict 16 - , python 17 20 }: 18 21 19 22 buildPythonPackage rec { 20 - version = "1.4.3"; 23 + version = "1.4.4"; 21 24 pname = "atomman"; 22 25 format = "setuptools"; 23 26 ··· 27 30 owner = "usnistgov"; 28 31 repo = "atomman"; 29 32 rev = "v${version}"; 30 - sha256 = "sha256-is47O59Pjrh9tPC1Y2+DVVcHbxmcjUOFOVGnNHuURoM="; 33 + hash = "sha256-iLAB0KMtrTCyGpx+81QfHDPVDhq8OA6CDL/ipVRpyo0="; 31 34 }; 32 35 33 36 propagatedBuildInputs = [ ··· 38 41 numpy 39 42 pandas 40 43 potentials 44 + requests 41 45 scipy 42 46 toolz 43 47 xmltodict 44 48 ]; 45 49 46 50 checkInputs = [ 51 + ase 52 + phonopy 53 + pymatgen 47 54 pytest 48 55 ]; 49 56 50 57 checkPhase = '' 51 58 # pytestCheckHook doesn't work 52 - py.test tests -k "not test_rootdir and not test_version \ 53 - and not test_atomic_mass and not imageflags" 59 + pytest tests -k "not test_rootdir and not test_version \ 60 + and not test_atomic_mass and not imageflags" \ 61 + --ignore tests/plot/test_interpolate.py 54 62 ''; 55 63 56 64 pythonImportsCheck = [
+4 -2
pkgs/development/python-modules/potentials/default.nix
··· 16 16 , scipy 17 17 , unidecode 18 18 , xmltodict 19 + , yabadaba 19 20 }: 20 21 21 22 buildPythonPackage rec { 22 - version = "0.3.2"; 23 + version = "0.3.3"; 23 24 pname = "potentials"; 24 25 format = "setuptools"; 25 26 ··· 27 28 28 29 src = fetchPypi { 29 30 inherit pname version; 30 - sha256 = "sha256-u++ClAAc96u7k8w756sFR4oCtIOgERQ7foklxWWPprY="; 31 + hash = "sha256-kj2RDls5ziCH+AF982h8TplZccwdcna3BQMoBXAbOHE="; 31 32 }; 32 33 33 34 propagatedBuildInputs = [ ··· 44 45 scipy 45 46 unidecode 46 47 xmltodict 48 + yabadaba 47 49 ]; 48 50 49 51 # Project has no tests
+14 -10
pkgs/development/python-modules/pymatgen/default.nix
··· 1 - { lib, buildPythonPackage, fetchFromGitHub 1 + { lib 2 + , buildPythonPackage 3 + , fetchFromGitHub 2 4 , cython 3 - , enum34 4 5 , glibcLocales 5 6 , matplotlib 6 7 , monty ··· 11 12 , plotly 12 13 , pybtex 13 14 , pydispatcher 15 + , pythonOlder 14 16 , requests 15 17 , ruamel-yaml 16 18 , scipy 17 - , six 18 19 , spglib 19 20 , sympy 20 21 , tabulate ··· 23 24 24 25 buildPythonPackage rec { 25 26 pname = "pymatgen"; 26 - version = "2022.2.7"; 27 + version = "2022.3.29"; 28 + format = "setuptools"; 27 29 28 - # sdist doesn't include c files 30 + disabled = pythonOlder "3.8"; 31 + 29 32 src = fetchFromGitHub { 30 33 owner = "materialsproject"; 31 34 repo = "pymatgen"; 32 35 rev= "v${version}"; 33 - sha256 = "sha256-92Dxmo1Z9LR2caSOftIf1I6jeZmqDe3SqhhoCofWraw="; 36 + hash = "sha256-B2piRWx9TfKlGTPOAAGsq2GxyfHIRBVFpk6dxES0WF0="; 34 37 }; 35 38 36 39 nativeBuildInputs = [ ··· 39 42 ]; 40 43 41 44 propagatedBuildInputs = [ 42 - enum34 43 45 matplotlib 44 46 monty 45 47 networkx ··· 52 54 requests 53 55 ruamel-yaml 54 56 scipy 55 - six 56 57 spglib 57 58 sympy 58 59 tabulate 59 60 uncertainties 60 61 ]; 61 62 62 - # No tests in pypi tarball. 63 + # Tests are not detected by pytest 63 64 doCheck = false; 64 - pythonImportsCheck = [ "pymatgen" ]; 65 + 66 + pythonImportsCheck = [ 67 + "pymatgen" 68 + ]; 65 69 66 70 meta = with lib; { 67 71 description = "A robust materials analysis code that defines core object representations for structures and molecules";
+57
pkgs/development/python-modules/yabadaba/default.nix
··· 1 + { lib 2 + , buildPythonPackage 3 + , cdcs 4 + , datamodeldict 5 + , fetchFromGitHub 6 + , ipython 7 + , lxml 8 + , numpy 9 + , pandas 10 + , pymongo 11 + , pytestCheckHook 12 + , pythonOlder 13 + }: 14 + 15 + buildPythonPackage rec { 16 + pname = "yabadaba"; 17 + version = "0.1.2"; 18 + format = "setuptools"; 19 + 20 + disabled = pythonOlder "3.7"; 21 + 22 + src = fetchFromGitHub { 23 + owner = "usnistgov"; 24 + repo = pname; 25 + rev = "v${version}"; 26 + hash = "sha256-Svw15epiSMEGMuFuMLqX2C9YFGtRtdg7DW2OVLPRmNI="; 27 + }; 28 + 29 + propagatedBuildInputs = [ 30 + cdcs 31 + datamodeldict 32 + ipython 33 + lxml 34 + numpy 35 + pandas 36 + pymongo 37 + ]; 38 + 39 + checkInputs = [ 40 + pytestCheckHook 41 + ]; 42 + 43 + pythonImportsCheck = [ 44 + "yabadaba" 45 + ]; 46 + 47 + preCheck = '' 48 + export HOME=$(mktemp -d); 49 + ''; 50 + 51 + meta = with lib; { 52 + description = "Abstraction layer allowing for common interactions with databases and records"; 53 + homepage = "https://github.com/usnistgov/yabadaba"; 54 + license = licenses.mit; 55 + maintainers = with maintainers; [ fab ]; 56 + }; 57 + }
+2
pkgs/top-level/python-packages.nix
··· 10900 10900 10901 10901 xxhash = callPackage ../development/python-modules/xxhash { }; 10902 10902 10903 + yabadaba = callPackage ../development/python-modules/yabadaba { }; 10904 + 10903 10905 yahooweather = callPackage ../development/python-modules/yahooweather { }; 10904 10906 10905 10907 yalesmartalarmclient = callPackage ../development/python-modules/yalesmartalarmclient { };