enable conda build capability

conda.recipe/build.sh

@@ -0,0 +1,6 @@
+#!/usr/bin/env bash
+set -ex
+
+# Install the Python package, but without dependencies,
+# because Conda takes care of that
+$PYTHON -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv

conda.recipe/conda_build_config.yaml

@@ -0,0 +1,5 @@
+python:
+    - 3.8
+    - 3.9
+    - 3.10
+    - 3.11

conda.recipe/meta.yaml

@@ -0,0 +1,40 @@
+{% set version = "0.02" %}
+
+package:
+  name: pypdaf
+  version: 0.0.2
+
+source:
+  noarch: python
+  path: ..
+
+build:
+  preserve_egg_dir: True
+
+requirements:
+  host:
+    - python {{python}}
+    - cython
+    - pip
+    - setuptools
+    - numpy
+    - blas-devel
+    - liblapack
+    - mpi4py
+  build:
+    - make                       # [not win]
+    - {{ compiler('c') }}
+    - {{ compiler('fortran') }}  # [not win]
+  run:
+    - python
+    - {{ pin_compatible('numpy') }}
+    - mpi4py
+
+about:
+  home: https://github.com/yumengch/pyPDAF
+  summary: A Python interface to PDAF
+  description: |
+    pyPDAF is a python interface to the Fortran-based PDAF library
+  license: GPL
+  doc_url: https://github.com/BoldingBruggeman/eat/wiki
+  dev_url: https://github.com/BoldingBruggeman/eat

pyproject.toml

@@ -1,2 +1,24 @@
 [build-system]
-requires = ["setuptools", "wheel", "cython", "numpy"]
+requires = ["setuptools", "wheel", "cython", "numpy"]
+
+[project]
+name = "pyPDAF"
+authors = [
+    {name = "Yumeng Chen", email = "yumeng.chen@reading.ac.uk"},
+]
+version = "0.0.2"
+description = "A Python interface to PDAF"
+readme = "README.md"
+requires-python = ">=3.8"
+keywords = ["data assimilation", "PDAF"]
+license = {text = "GPL License"}
+classifiers = [
+    "Programming Language :: Python :: 3",
+]
+dependencies = [
+    "numpy",
+]
+
+[tool.setuptools.packages.find]
+where = ["pyPDAF"]
+namespaces = false

setup.cfg

@@ -1,14 +1,3 @@
-[metadata]
-name = pyPDAF
-version = 0.0.2
-description = A Python interface to Fortran-written PDAF data assimilation library
-long_description = file: README.md, LICENSE
-keywords = data assimilation, PDAF
-license = GPL V3
-classifiers =
-    License :: GPL V3
-    Programming Language :: Python :: 3
-
 [options]
 include_package_data = True
 install_requires =
@@ -25,7 +14,7 @@ FC = mpif90
 LD = mpif90
 AR = ar
 RANLIB = ranlib
-CPP = /usr/bin/cpp
+CPP = cpp
 OPT = -O3 -fdefault-real-8 -fPIC
 OPT_LNK =
 INC = -IPDAF_V2.1/include
@@ -35,7 +24,5 @@ CPP_DEFS = -DUSE_PDAF
 [pyPDAF]
 pwd = /home/runner/work/pyPDAF/pyPDAF/
 CC = mpicc
-MPI_PATH=/usr/lib/x86_64-linux-gnu/openmpi/lib/fortran/gfortran
-MPI_Flag=mpi_usempif08,mpi_mpifh,mpi
 LAPACK_PATH=
 LAPACK_Flag=lapack,blas

setup.py

@@ -59,17 +59,20 @@
 # multiple-definition is thus necessary 
 extra_link_args=['-Wl,--allow-multiple-definition']
 # setup library to MPI-fortran 
-MPI_PATH=dist.get_option_dict('pyPDAF')['MPI_PATH'][1]
 LAPACK_PATH=dist.get_option_dict('pyPDAF')['LAPACK_PATH'][1]
-print ('MPI_PATH', MPI_PATH)
 print ('LAPACK_PATH', LAPACK_PATH)
-library_dirs=['/usr/lib', *MPI_PATH.split(','), *LAPACK_PATH.split(',')]
+library_dirs=['/usr/lib', ]
+if LAPACK_PATH != '': library_dirs += LAPACK_PATH.split(',')
+result = subprocess.run(['mpifort', '-show'], stdout=subprocess.PIPE)
+result = result.stdout.decode()[:-1].split(' ')
+s = [l[2:] for l in result if l[:2] == '-L']
+if len(s) > 0: library_dirs += s
 print ('library_dirs', library_dirs)
-MPI_Flag=dist.get_option_dict('pyPDAF')['MPI_Flag'][1]
 LAPACK_Flag=dist.get_option_dict('pyPDAF')['LAPACK_Flag'][1]
-print ('MPI_Flag', MPI_Flag)
 print ('LAPACK_Flag', LAPACK_Flag)
-libraries=['gfortran', 'm', *MPI_Flag.split(','), *LAPACK_Flag.split(',')]
+libraries=['gfortran', 'm', *LAPACK_Flag.split(',')]
+s = [l[2:] for l in result if l[:2] == '-l']
+if len(s) > 0: libraries += s
 print ('libraries', libraries)
 
 def compilePDAFLibraryInterface():
@@ -140,11 +143,11 @@ def run(self):
 
 
 ext_modules = [Extension('PDAFc',
-                          [f'pyPDAF/fortran/PDAFc.pyx']),
+                          ['pyPDAF/fortran/PDAFc.pyx']),
                Extension('*',
-                         [f'pyPDAF/UserFunc.pyx']),
+                         ['pyPDAF/UserFunc.pyx']),
                Extension('*',
-                         [f'pyPDAF/PDAF.pyx'],
+                         ['pyPDAF/PDAF.pyx'],
                          extra_compile_args=extra_compile_args,
                          extra_objects=extra_objects,
                          extra_link_args=extra_link_args,