From 9c162827e78aa5663ba76fea7e19ed2088a6f8ad Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@googlemail.com>
Date: Thu, 3 Jun 2021 10:19:30 +0200
Subject: [PATCH] qcelemental: backport upstream patch

Qcelemental constructs binary search paths wrong and therefore discards intended results silently. See https://github.com/MolSSI/QCElemental/pull/265
qcelemental: use fetchpatch to get patches
---
 .../python-modules/qcelemental/default.nix    | 21 ++++++++++++++++---
 1 file changed, 18 insertions(+), 3 deletions(-)

diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix
index 52cd264a005a..7d1dcdeb1c7b 100644
--- a/pkgs/development/python-modules/qcelemental/default.nix
+++ b/pkgs/development/python-modules/qcelemental/default.nix
@@ -1,5 +1,5 @@
-{ buildPythonPackage, lib, fetchPypi, numpy, pydantic, pint,
-  networkx, pytestrunner, pytestcov, pytest
+{ buildPythonPackage, lib, fetchPypi, fetchpatch, numpy
+, pydantic, pint,  networkx, pytestrunner, pytestcov, pytest
 } :
 
 buildPythonPackage rec {
@@ -14,10 +14,25 @@ buildPythonPackage rec {
     sha256 = "141vw36fmacj897q26kq2bl9l0d23lyqjfry6q46aa9087dcs7ni";
   };
 
+  # FIXME: Fixed upstream but not released yet. Nevertheless critical for correct behaviour.
+  # See https://github.com/MolSSI/QCElemental/pull/265
+  patches = [
+    (fetchpatch {
+      name = "SearchPath1.patch";
+      url = "https://github.com/MolSSI/QCElemental/commit/2211a4e59690bcb14265a60f199a5efe74fe44db.diff";
+      sha256 = "1ibjvmdrc103jdj79xrr11y5yji5hc966rm4ihfhfzgbvfkbjg2l";
+    })
+    (fetchpatch {
+      name = "SearchPath2.patch";
+      url = "https://github.com/MolSSI/QCElemental/commit/5a32ce33e8142047b0a00d0036621fe2750e872a.diff";
+      sha256 = "0gmg70vdps7k6alqclwdlxkli9d8s1fphbdvyl8wy8xrh46jw6rk";
+    })
+  ];
+
   doCheck = true;
 
   meta = with lib; {
-    description = "Periodic table, physical constants, and molecule parsing for quantum chemistry.";
+    description = "Periodic table, physical constants, and molecule parsing for quantum chemistry";
     homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/";
     license = licenses.bsd3;
     platforms = platforms.linux;