fix pip versions

recipes/espsim/meta.yaml

@@ -1,25 +1,29 @@
 {% set name = "espsim" %}
-{% set version = "1.0" %}
+{% set version = "1.0.0" %}
+{% set git_version = "1.0" %}
 
 package:
-  name: {{ name|lower }}
+  name: "{{ name|lower }}"
   version: {{ version }}
 
 source:
-  url: https://github.com/hesther/espsim/archive/refs/tags/v{{ version }}.tar.gz
+  url: https://github.com/hesther/espsim/archive/refs/tags/v{{ git_version }}.tar.gz
   sha256: b381eae851e22d357ed25effe9dc80587fafc6c6cc7159863da9733292a6aabd
 
+  patches:
+    - setup-py.patch
+
 build:
   noarch: python
   script: {{ PYTHON }} -m pip install . -vv
   number: 0
 
 requirements:
   host:
-    - python >=3.6
+    - python >=3.8
     - pip
   run:
-    - python >=3.6
+    - python >=3.8
     - rdkit
     - numpy
     - scipy

recipes/espsim/setup-py.patch

@@ -0,0 +1,13 @@
+diff --git a/setup.py b/setup.py
+index 2d0ca17..9c35f21 100644
+--- a/setup.py
++++ b/setup.py
+@@ -5,7 +5,7 @@ with open('README.md', encoding='utf-8') as f:
+
+ setup(
+     name='espsim',
+-    version='0.0.1',
++    version='1.0.0',
+     author='Esther Heid',
+     author_email='[email protected]',
+     description='Scoring of shape and ESP similarity with RDKit',

recipes/resp/meta.yaml

@@ -1,35 +1,41 @@
 {% set name = "resp" %}
-{% set version = "1.0" %}
+{% set version = "1.0.0" %}
+{% set git_version = "1.0" %}
 
 package:
   name: {{ name|lower }}
   version: {{ version }}
 
 source:
-  url: https://github.com/cdsgroup/resp/archive/refs/tags/v{{ version }}.tar.gz
+  url: https://github.com/cdsgroup/resp/archive/refs/tags/v{{ git_version }}.tar.gz
   sha256: e3bf8a3df69e5b909877df221ce0aa3dd139c176edbcccec0a3e8a738c03a921
 
+  patches:
+    - setup-py.patch
+
 build:
   noarch: python
   script: {{ PYTHON }} -m pip install . -vv
   number: 0
 
 requirements:
   host:
-    - python >=3.6
+    - python >=3.8
     - pip
   run:
     - numpy
-    - python >=3.6
+    - python >=3.8
     - psi4
 
 test:
   requires:
     - pytest
+    - pip
   imports:
     - psi4
     - resp
   commands:
+    - pip check
     # Verify module
     - test -f $SP_DIR/resp/driver.py
     # Actually test

recipes/resp/setup-py.patch

@@ -0,0 +1,12 @@
+diff --git a/setup.py b/setup.py
+index d76b67f..9b68f0e 100644
+--- a/setup.py
++++ b/setup.py
+@@ -2,6 +2,7 @@ from setuptools import setup
+
+ setup(
+     name='resp',
++    version='1.0.0',
+     url='https://github.com/cdsgroup/resp',
+     license='BSD license',
+     packages=['resp'],