Fixes for conda on GHA (#103)

* temporary fix conda pybind11 2.6 issue

* try to fix ccache

* try to fix pytest

* fix weird error

* set home dir correctly

* annoying

* only pybind11 from copy

* all c-f

* try blas=mkl

* revert and install verify

* pin new adccore

* remove flag

* downgrad core

* bump macos in ci, add todo

.github/workflows/ci.yaml

@@ -19,7 +19,7 @@ jobs:
         include:
           - {version: '3.6', os: ubuntu-latest}
           - {version: '3.8', os: ubuntu-latest}
-          - {version: '3.6', os: macOS-10.14  }
+          - {version: '3.6', os: macOS-10.15  }
     steps:
       - uses: actions/checkout@v2
       - uses: actions/setup-python@v2

conda/build.sh

@@ -4,6 +4,7 @@ set -eu
 # Setup wrapper scripts for ccache during adcc builds
 ccache -M 1Gi
 
+mkdir -p $HOME/bin
 rm -rf $HOME/bin/cc
 rm -rf $HOME/bin/cxx
 echo -e '#!/bin/sh\n' "ccache $CC \$@" > $HOME/bin/cc

conda/conda_build_config.yaml

@@ -9,7 +9,7 @@ target_platform:
     - osx-64                           # [osx]
     - linux-64                         # [linux]
 CONDA_BUILD_SYSROOT:
-    - /Users/travis/MacOSX10.9.sdk     # [osx]
+    - /Users/runner/MacOSX10.9.sdk     # [osx]
 c_compiler_version:
     - 7.3.0                            # [linux]
     - 4                                # [osx]

scripts/upload_to_anaconda.sh

@@ -40,9 +40,9 @@ fi
 < conda/meta.yaml.in sed "s/@ADCC_VERSION@/$ADCC_VERSION/g;" > conda/meta.yaml
 
 # Install requirements and setup channels
-conda install conda-build anaconda-client --yes
+conda install conda-build anaconda-client conda-verify --yes
 # conda config --append channels psi4/label/dev
 # conda config --append channels pyscf
 
 # Running build and deployment
-conda build conda --user adcc --token $ANACONDA_TOKEN --label $LABEL
+conda build conda -c defaults -c conda-forge --user adcc --token $ANACONDA_TOKEN --label $LABEL

setup.py

@@ -53,7 +53,10 @@ def finalize_options(self):
 
 
 def is_conda_build():
-    return os.environ.get("CONDA_BUILD", None) == "1"
+    return (
+        os.environ.get("CONDA_BUILD", None) == "1"
+        or os.environ.get("CONDA_EXE", None)
+    )
 
 
 def get_adccore_data():
@@ -64,6 +67,13 @@ def get_adccore_data():
 
     import AdcCore
 
+    # TODO: find a more sustainable and clean solution ASAP
+    if is_conda_build():
+        os.environ["LDFLAGS_LD"] = \
+            os.environ["LDFLAGS_LD"].replace("-dead_strip_dylibs", "")
+        os.environ["LDFLAGS"] = \
+            os.environ["LDFLAGS"].replace("-Wl,-dead_strip_dylibs", "")
+
     adccore = AdcCore.AdcCore()
     if not adccore.is_config_file_present \
        or adccore.version != adccore_version[0] \
@@ -132,6 +142,7 @@ def adccsetup(*args, **kwargs):
     """Wrapper around setup, displaying a link to adc-connect.org on any error."""
     if is_conda_build():
         kwargs.pop("install_requires")
+        kwargs.pop("tests_require")
     try:
         setup(*args, **kwargs)
     except Exception as e: