Enable PowerPC

.ci_support/linux_ppc64le_python3.6.yaml

@@ -0,0 +1,38 @@
+boost:
+- 1.70.0
+bzip2:
+- '1'
+c_compiler:
+- gcc
+c_compiler_version:
+- '8'
+channel_sources:
+- conda-forge,defaults
+channel_targets:
+- conda-forge main
+cxx_compiler:
+- gxx
+cxx_compiler_version:
+- '8'
+docker_image:
+- condaforge/linux-anvil-ppc64le
+fortran_compiler:
+- gfortran
+fortran_compiler_version:
+- '8'
+numpy:
+- '1.16'
+pin_run_as_build:
+  boost:
+    max_pin: x.x.x
+  bzip2:
+    max_pin: x
+  python:
+    min_pin: x.x
+    max_pin: x.x
+  zlib:
+    max_pin: x.x
+python:
+- '3.6'
+zlib:
+- '1.2'

.ci_support/linux_ppc64le_python3.7.yaml

@@ -0,0 +1,38 @@
+boost:
+- 1.70.0
+bzip2:
+- '1'
+c_compiler:
+- gcc
+c_compiler_version:
+- '8'
+channel_sources:
+- conda-forge,defaults
+channel_targets:
+- conda-forge main
+cxx_compiler:
+- gxx
+cxx_compiler_version:
+- '8'
+docker_image:
+- condaforge/linux-anvil-ppc64le
+fortran_compiler:
+- gfortran
+fortran_compiler_version:
+- '8'
+numpy:
+- '1.16'
+pin_run_as_build:
+  boost:
+    max_pin: x.x.x
+  bzip2:
+    max_pin: x
+  python:
+    min_pin: x.x
+    max_pin: x.x
+  zlib:
+    max_pin: x.x
+python:
+- '3.7'
+zlib:
+- '1.2'

.ci_support/linux_ppc64le_python3.8.yaml

@@ -0,0 +1,38 @@
+boost:
+- 1.70.0
+bzip2:
+- '1'
+c_compiler:
+- gcc
+c_compiler_version:
+- '8'
+channel_sources:
+- conda-forge,defaults
+channel_targets:
+- conda-forge main
+cxx_compiler:
+- gxx
+cxx_compiler_version:
+- '8'
+docker_image:
+- condaforge/linux-anvil-ppc64le
+fortran_compiler:
+- gfortran
+fortran_compiler_version:
+- '8'
+numpy:
+- '1.16'
+pin_run_as_build:
+  boost:
+    max_pin: x.x.x
+  bzip2:
+    max_pin: x
+  python:
+    min_pin: x.x
+    max_pin: x.x
+  zlib:
+    max_pin: x.x
+python:
+- '3.8'
+zlib:
+- '1.2'

conda-forge.yml

@@ -4,3 +4,5 @@ travis:
 appveyor:
   secure:
     BINSTAR_TOKEN: tumuXLL8PU75WMnRDemRy02ruEq2RpNxeK3dz0MjFssnosPm2v4EFjfNB4PTotA1
+provider:
+  linux_ppc64le: default

recipe/meta.yaml

@@ -8,9 +8,8 @@ package:
   version: {{ version }}
 
 source:
-  # the tool is GPL licensed but the download is not possible without registration, so we use a copy here
-  url: https://bitbucket.org/simonbray/ambertools/raw/9e3a9289ca97a2ba0f58cebdfb102c88e8912d9f/AmberTools19.tar.bz2
-  sha256: 8315929b8e1d597907405ddab31d41c556a777f7df7df98745ee9d08c980bae5
+  url: https://ambermd.org/downloads/AmberTools19.tar.bz2
+  sha256: 0c86937904854b64e4831e047851f504ec45b42e593db4ded92c1bee5973e699
 
 build:
   number: 0
@@ -26,7 +25,7 @@ requirements:
     - patch
     - tcsh
     - bison
-    - openmp
+    - llvm-openmp  # [osx]
   host:
     - python
     - numpy
@@ -58,7 +57,7 @@ about:
   description: |
     AmberTools is a set of programs for biomolecular simulation and analysis.
     They are designed to work well with each other, and with the “regular” Amber
-    suite of programs.  You can perform many simulation tasks with AmberTools,
+    suite of programs. You can perform many simulation tasks with AmberTools,
     and you can do more extensive simulations with the combination of AmberTools
     and Amber itself.