{% set name = "plumed" %} {% set version = environ['VERSION'] %} package: name: {{ name|lower }} version: {{ version }} source: path: ../.. build: number: 0 skip: True # [win] # Most programs should link libplumedWrapper.a so that libplumedKernel.so will be loaded # with dlopen. There is no need for pinning thus. # Programs linking libplumed.so should pin to min_pin='x.x', max_pin='x'. # Programs linking libplumedKernel.so should pin to min_pin='x.x.x'. max_pin='x.x.x'. requirements: build: - {{ compiler('c') }} - {{ compiler('cxx') }} - llvm-openmp # [osx] # xxd is provided by package vim and used during build - vim # [linux] host: - gsl - libblas - liblapack - llvm-openmp # [osx] - xdrfile - zlib run: - llvm-openmp # [osx] test: commands: - plumed info --root - plumed info --long-version - plumed-patch -h - plumed config has external_blas external_lapack gsl xdrfile zlib - $PREFIX/lib/plumed/plumed-runtime -h - test -f $PREFIX/lib/libplumed$SHLIB_EXT - test -f $PREFIX/lib/libplumedWrapper.a - test -f $PREFIX/lib/libplumedKernel$SHLIB_EXT - conda inspect linkages -p $PREFIX $PKG_NAME - conda inspect objects -p $PREFIX $PKG_NAME # [osx] about: home: http://www.plumed.org/ license: LGPL-3.0 license_family: GPL license_file: COPYING.LESSER summary: 'Free energy calculations in molecular systems' description: | PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. doc_url: https://www.plumed.org/doc dev_url: https://github.com/plumed/plumed2 extra: recipe-maintainers: - GiovanniBussi