Merge pull request #237755 from natsukium/biopandas/init

python310Packages.biopandas: init at 0.4.1; python310Packages.mmtf-python: init at 1.1.3

3 files changed, 110 insertions, 0 deletions

diff --git a/pkgs/development/python-modules/biopandas/default.nix b/pkgs/development/python-modules/biopandas/default.nix
new file mode 100644
index 0000000000000..d33a9faf44031
--- /dev/null
+++ b/pkgs/development/python-modules/biopandas/default.nix
@@ -0,0 +1,62 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, looseversion
+, mmtf-python
+, nose
+, numpy
+, pandas
+, pythonRelaxDepsHook
+}:
+
+buildPythonPackage rec {
+  pname = "biopandas";
+  version = "0.4.1";
+  format = "setuptools";
+
+  src = fetchFromGitHub {
+    owner = "BioPandas";
+    repo = "biopandas";
+    rev = "refs/tags/v${version}";
+    hash = "sha256-PRdemBo+bB2xJWmF2NylFTfNwEEo67i6XSaeDAFmQ/c=";
+  };
+
+  nativeBuildInputs = [
+    pythonRelaxDepsHook
+  ];
+
+  pythonRelaxDeps = [
+    "looseversion"
+  ];
+
+  propagatedBuildInputs = [
+    numpy
+    pandas
+    mmtf-python
+    looseversion
+  ];
+
+  nativeCheckInputs = [
+    nose
+  ];
+
+  checkPhase = ''
+    runHook preCheck
+
+    nosetests
+
+    runHook postCheck
+  '';
+
+  pythonImportsCheck = [
+    "biopandas"
+  ];
+
+  meta = {
+    description = "Working with molecular structures in pandas DataFrames";
+    homepage = "https://github.com/BioPandas/biopandas";
+    changelog = "https://github.com/BioPandas/biopandas/releases/tag/${src.rev}";
+    license = lib.licenses.bsd3;
+    maintainers = with lib.maintainers; [ natsukium ];
+  };
+}
diff --git a/pkgs/development/python-modules/mmtf-python/default.nix b/pkgs/development/python-modules/mmtf-python/default.nix
new file mode 100644
index 0000000000000..197d0cf3e65bb
--- /dev/null
+++ b/pkgs/development/python-modules/mmtf-python/default.nix
@@ -0,0 +1,44 @@
+{ lib
+, buildPythonPackage
+, fetchPypi
+, msgpack
+, numpy
+, unittestCheckHook
+}:
+
+buildPythonPackage rec {
+  pname = "mmtf-python";
+  version = "1.1.3";
+  format = "setuptools";
+
+  src = fetchPypi {
+    inherit pname version;
+    hash = "sha256-EqAv4bcTHworjORbRvHgzdKLmBj+RJlVTCaISYfqDDI=";
+  };
+
+  propagatedBuildInputs = [
+    msgpack
+    numpy
+  ];
+
+  nativeCheckInputs = [
+    unittestCheckHook
+  ];
+
+  unittestFlagsArray = [
+    "-s mmtf/tests"
+    "-p \"*_tests.py\""
+  ];
+
+  pythonImportsCheck = [
+    "mmtf"
+  ];
+
+  meta = {
+    description = "The python implementation of the MMTF API, decoder and encoder";
+    homepage = "https://github.com/rcsb/mmtf-python";
+    changelog = "https://github.com/rcsb/mmtf-python/releases/tag/v${version}";
+    license = lib.licenses.asl20;
+    maintainers = with lib.maintainers; [ natsukium ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index 3b1fd05cb344c..ec7cf76504c8c 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -1326,6 +1326,8 @@ self: super: with self; {
 
   binwalk-full = self.binwalk.override { visualizationSupport = true; };
 
+  biopandas = callPackage ../development/python-modules/biopandas { };
+
   biopython = callPackage ../development/python-modules/biopython { };
 
   biplist = callPackage ../development/python-modules/biplist { };
@@ -6397,6 +6399,8 @@ self: super: with self; {
 
   mmpython = callPackage ../development/python-modules/mmpython { };
 
+  mmtf-python = callPackage ../development/python-modules/mmtf-python { };
+
   mnemonic = callPackage ../development/python-modules/mnemonic { };
 
   mne-python = callPackage ../development/python-modules/mne-python { };