Merge conda recipes to the central repository

.gitattributes

@@ -3,6 +3,9 @@
 # N.B. Only works with git client 1.7.2+
 * text=auto
 
+# All bat files should keep CRLF line endings
+*.bat text eol=crlf
+
 # Some XML files are slightly larger than the allowed limit but they
 # should compress well
 *.xml              hooks.MaxObjectKiB130902=2048

.pre-commit-config.yaml

@@ -21,6 +21,7 @@ repos:
       - id: check-xml
       - id: check-yaml
         args: [--allow-multiple-documents]
+        exclude: ^conda/recipes
 
   - repo: https://github.com/mantidproject/pre-commit-hooks.git
     rev: 82e4b72a17c058d99f510771e3f531fb98c3fe73

conda/recipes/conda_build_config.yaml

@@ -0,0 +1,66 @@
+c_compiler:
+  - gcc                      # [linux]
+  - clang                    # [osx]
+  - vs2019                   # [win]
+c_compiler_version:            # [unix]
+  - 13                         # [osx]
+  - 10                         # [linux]
+cxx_compiler:
+  - gxx                      # [linux]
+  - clangxx                  # [osx]
+  - vs2019                   # [win]
+cxx_compiler_version:          # [unix]
+  - 13                         # [osx]
+  - 10                         # [linux]
+llvm_openmp:                   # [osx]
+  - 13                         # [osx]
+
+python:
+  - 3.8
+
+boost:
+  - 1.77
+
+numpy:
+  - 1.19
+
+matplotlib:
+  - 3.5.*
+
+openssl:
+  - 1.1.1l.*
+
+setuptools:
+  - 48.0.*
+
+sphinx:
+  - 5.1.1
+
+sphinx_bootstrap_theme:
+  - 0.8.1
+
+qt:
+  - 5.12.*
+
+tbb:
+  - 2020.2.*
+
+hdf5:
+  - 1.10.*
+
+occt:
+  - 7.5.*
+
+gsl:
+  - 2.7
+
+ipykernel:
+  - <6
+
+pin_run_as_build:
+    boost:
+      max_pin: x.x
+
+# Otherwise it will find the wrong sdk, currently working on 10.10 as that is what Anaconda/conda-build does.
+CONDA_BUILD_SYSROOT:
+  - /opt/MacOSX10.10.sdk     # [osx]

conda/recipes/mantid/bld.bat

@@ -0,0 +1,21 @@
+mkdir build && cd build
+
+cmake ^
+    -DCMAKE_INSTALL_PREFIX=%LIBRARY_PREFIX% ^
+    -DCMAKE_INSTALL_LIBDIR=%LIBRARY_LIB% ^
+    -DCMAKE_PREFIX_PATH=%LIBRARY_PREFIX% ^
+    -DCONDA_BUILD=True ^
+    -DCONDA_ENV=True ^
+    -DENABLE_PRECOMMIT=OFF ^
+    -DENABLE_DOCS=OFF ^
+    -DWORKBENCH_SITE_PACKAGES=%SP_DIR% ^
+    -DMANTID_FRAMEWORK_LIB=BUILD ^
+    -DMANTID_QT_LIB=OFF ^
+    -DCPACK_PACKAGE_SUFFIX="" ^
+    -DENABLE_WORKBENCH=OFF ^
+    ..
+
+if errorlevel 1 exit 1
+cmake --build . --config Release
+cmake --build . --config Release --target install
+if errorlevel 1 exit 1

conda/recipes/mantid/build.sh

@@ -0,0 +1,28 @@
+#!/usr/bin/env bash
+set -ex
+
+mkdir build
+cd build
+
+cmake \
+  ${CMAKE_ARGS} \
+  -DCMAKE_BUILD_TYPE=Release \
+  -DCMAKE_PREFIX_PATH=$PREFIX \
+  -DHDF5_ROOT=$PREFIX \
+  -DOpenSSL_ROOT=$PREFIX \
+  -DCMAKE_FIND_FRAMEWORK=LAST \
+  -DENABLE_DOCS=OFF \
+  -DWORKBENCH_SITE_PACKAGES=$SP_DIR \
+  -DENABLE_PRECOMMIT=OFF \
+  -DCONDA_BUILD=True \
+  -DCONDA_ENV=True \
+  -DUSE_PYTHON_DYNAMIC_LIB=OFF \
+  -DMANTID_FRAMEWORK_LIB=BUILD \
+  -DMANTID_QT_LIB=OFF \
+  -DCPACK_PACKAGE_SUFFIX="" \
+  -DENABLE_WORKBENCH=OFF \
+  -GNinja \
+  ../
+
+ninja
+ninja install

conda/recipes/mantid/meta.yaml

@@ -0,0 +1,77 @@
+{% set data = load_setup_py_data() %}
+
+package:
+  name: mantid
+  version: {{ data.get('version', '0.0.0') }}
+
+source:
+  path: ../../../
+
+build:
+  number: 0
+  run_exports:
+    - {{ pin_subpackage('mantid', max_pin='x.x.x') }}
+
+requirements:
+  build:
+    - {{ compiler("c") }}
+    - {{ compiler("cxx") }}
+    - llvm-openmp  # [osx]
+    - libgomp  # [linux]
+    - ninja  # [unix]
+    - cmake
+    - git
+    - {{ cdt('mesa-libgl-devel') }}  # [linux]
+    - {{ cdt('mesa-dri-drivers') }}  # [linux]
+    - {{ cdt('libxxf86vm') }}  # [linux]
+    - {{ cdt('libx11-devel') }}  # [linux]
+    - {{ cdt('xorg-x11-proto-devel') }}  # [linux]
+  host:
+    - boost {{ boost }}
+    - eigen
+    - gsl {{ gsl }}
+    - h5py
+    - hdf5 {{ hdf5 }}
+    - jemalloc  # [unix]
+    - jsoncpp
+    - librdkafka
+    - lib3mf  # [win]
+    - muparser
+    - nexus
+    - numpy {{ numpy }}
+    - occt {{ occt }}
+    - python {{ python }}
+    - poco
+    - tbb-devel {{ tbb }}
+    - zlib
+    - pip
+    - openssl {{ openssl }}
+    - versioningit
+  run:
+    - {{ pin_compatible("boost", max_pin="x.x") }}
+    - {{ pin_compatible("gsl", max_pin="x.x") }}
+    - h5py
+    - {{ pin_compatible("hdf5", max_pin="x.x") }}
+    - lib3mf  # [win]
+    - nexus
+    - {{ pin_compatible("numpy") }}
+    - {{ pin_compatible("occt", max_pin="x.x.x") }}
+    - python
+    - python-dateutil
+    - pyyaml
+    - scipy
+    - openssl {{ openssl }}
+    - euphonic=0.6.*
+    - toml
+
+about:
+  home: https://github.com/mantidproject/mantid
+  license: GPL-3.0-or-later
+  summary: Mantid provides a framework that supports high-performance computing and visualisation of materials science data.
+  description: Mantid provides a framework that supports high-performance computing and visualisation of materials science data. To use the optional plotting sub package you must pip install matplotlib 3.1.3 to ensure correct compatibility.
+
+extra:
+  recipe-maintainers:
+    - thomashampson
+    - sf1919
+    - martyngigg

conda/recipes/mantid/run_test.py

@@ -0,0 +1,9 @@
+# Turn off network required things that the framework does
+from mantid.kernel import ConfigService
+ConfigService["UpdateInstrumentDefinitions.OnStartup"] = "0"
+ConfigService["usagereports.enabled"] = "0"
+ConfigService["CheckMantidVersion.OnStartup"] = "0"
+
+import mantid.simpleapi as sapi
+
+assert "Load" in dir(sapi)

conda/recipes/mantiddocs/bld.bat

@@ -0,0 +1,2 @@
+echo "Support for building this package on windows has not been added yet."
+exit 1

conda/recipes/mantiddocs/build.sh

@@ -0,0 +1,61 @@
+#!/usr/bin/env bash
+set -ex
+
+# QtHelp docs build needs to start a QApplication so we need an X server on Linux
+XVFB_SERVER_NUM=101
+
+function run_with_xvfb {
+    if [[ $OSTYPE == "linux"* ]]; then
+        # Use -e because a bug on RHEL7 means --error-file produces an error:
+	#   https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=337703;msg=2
+        # Use -noreset because of an X Display bug caused by a race condition in xvfb:
+	#  https://gitlab.freedesktop.org/xorg/xserver/-/issues/1102
+        xvfb-run -e /dev/stderr --server-args="-core -noreset -screen 0 640x480x24" \
+        --server-num=${XVFB_SERVER_NUM} $@
+    else
+        eval $@
+    fi
+}
+
+function terminate_xvfb_sessions {
+    if [[ $OSTYPE == "linux"* ]]; then
+        echo "Terminating any existing Xvfb sessions"
+
+        # Kill Xvfb processes
+        killall Xvfb || true
+
+        # Remove Xvfb X server lock files
+        rm -f /tmp/.X${XVFB_SERVER_NUM}-lock || true
+    fi
+}
+
+mkdir build
+cd build
+
+cmake \
+  ${CMAKE_ARGS} \
+  -DCMAKE_BUILD_TYPE=Release \
+  -DCMAKE_PREFIX_PATH=$PREFIX \
+  -DCMAKE_FIND_FRAMEWORK=LAST \
+  -DMANTID_FRAMEWORK_LIB=SYSTEM \
+  -DMANTID_QT_LIB=SYSTEM \
+  -DENABLE_WORKBENCH=OFF \
+  -DENABLE_DOCS=ON \
+  -DDOCS_DOTDIAGRAMS=ON \
+  -DDOCS_SCREENSHOTS=ON \
+  -DDOCS_MATH_EXT=sphinx.ext.imgmath \
+  -DDOCS_PLOTDIRECTIVE=ON \
+  -DPACKAGE_DOCS=ON \
+  -DENABLE_PRECOMMIT=OFF \
+  -DCONDA_BUILD=True \
+  -DCONDA_ENV=True \
+  -DUSE_PYTHON_DYNAMIC_LIB=OFF \
+  -DQt5_DIR=$BUILD_PREFIX/lib/cmake/qt5 \
+  -DCPACK_PACKAGE_SUFFIX="" \
+  -GNinja \
+  ../
+
+cmake --build .
+run_with_xvfb cmake --build . --target docs-qthelp
+terminate_xvfb_sessions
+cmake --build . --target install

conda/recipes/mantiddocs/meta.yaml

@@ -0,0 +1,55 @@
+{% set data = load_setup_py_data() %}
+
+package:
+  name: mantiddocs
+  version: {{ data.get('version', '0.0.0') }}
+
+source:
+  path: ../../../
+
+source:
+  url: https://github.com/mantidproject/mantid/archive/{{ git_commit }}.tar.gz
+  sha256: 80ff0d522229ea55e155e7c131acb948d92cb464e5422e66b8d4d13efaeac561
+
+build:
+  noarch: generic
+  number: 0
+  ignore_run_exports_from:
+      - {{ compiler('cxx') }}
+      - python
+
+requirements:
+  build:
+    - {{ compiler("cxx") }}
+    - ninja  # [unix]
+    - cmake
+    - git
+    - {{ cdt('mesa-libgl-devel') }}  # [linux]
+    - {{ cdt('mesa-dri-drivers') }}  # [linux]
+    - {{ cdt('libxxf86vm') }}  # [linux]
+    - {{ cdt('libx11-devel') }}  # [linux]
+    - {{ cdt('xorg-x11-proto-devel') }}  # [linux]
+  host:
+    - python
+    - setuptools {{ setuptools }}
+    - sphinx {{ sphinx }}
+    - sphinx_bootstrap_theme
+    - mantidqt {{ version }}
+
+# there are no run requirements as it's just pure html
+
+test:
+  files:
+    - share/doc/index.html
+    - share/doc/mantid.png
+
+about:
+  home: https://github.com/mantidproject/mantid
+  license: GPL-3.0-or-later
+  summary: The QtHelp documentation for mantid
+
+extra:
+  recipe-maintainers:
+    - thomashampson
+    - sf1919
+    - martyngigg

conda/recipes/mantidqt/bld.bat

@@ -0,0 +1,22 @@
+mkdir build && cd build
+
+cmake ^
+    -DCMAKE_INSTALL_PREFIX=%LIBRARY_PREFIX% ^
+    -DCMAKE_INSTALL_LIBDIR=%LIBRARY_LIB% ^
+    -DCMAKE_PREFIX_PATH=%LIBRARY_PREFIX% ^
+    -DCONDA_BUILD=True ^
+    -DCONDA_ENV=True ^
+    -DENABLE_PRECOMMIT=OFF ^
+    -DENABLE_DOCS=OFF ^
+    -DWORKBENCH_SITE_PACKAGES=%SP_DIR% ^
+    -DMANTID_FRAMEWORK_LIB=SYSTEM ^
+    -DMANTID_QT_LIB=BUILD ^
+    -DCPACK_PACKAGE_SUFFIX="" ^
+    -DENABLE_WORKBENCH=OFF ^
+    -DUSE_PRECOMPILED_HEADERS=OFF ^
+    ..
+
+if errorlevel 1 exit 1
+cmake --build . --config Release
+cmake --build . --config Release --target install
+if errorlevel 1 exit 1

conda/recipes/mantidqt/build.sh

@@ -0,0 +1,29 @@
+#!/usr/bin/env bash
+set -ex
+
+mkdir build
+cd build
+
+cmake \
+  ${CMAKE_ARGS} \
+  -DCMAKE_BUILD_TYPE=Release \
+  -DCMAKE_PREFIX_PATH=$PREFIX \
+  -DCMAKE_FIND_FRAMEWORK=LAST \
+  -DHDF5_ROOT=$PREFIX \
+  -DOpenSSL_ROOT=$PREFIX \
+  -DENABLE_DOCS=OFF \
+  -DWORKBENCH_SITE_PACKAGES=$SP_DIR \
+  -DENABLE_PRECOMMIT=OFF \
+  -DCONDA_BUILD=True \
+  -DCONDA_ENV=True \
+  -DUSE_PYTHON_DYNAMIC_LIB=OFF \
+  -DMANTID_FRAMEWORK_LIB=SYSTEM \
+  -DMANTID_QT_LIB=BUILD \
+  -DENABLE_WORKBENCH=OFF \
+  -DQt5_DIR=$PREFIX/lib/cmake/qt5 \
+  -DCPACK_PACKAGE_SUFFIX="" \
+  -GNinja \
+  ../
+
+ninja
+ninja install