diff --git a/recipes/elk/build.sh b/recipes/elk/build.sh new file mode 100644 index 0000000000000..ba7aae7cb8a6a --- /dev/null +++ b/recipes/elk/build.sh @@ -0,0 +1,28 @@ +#!/usr/bin/env bash + +set -xe + +F90_OPTS="-O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch" +F77_OPTS=$F90_OPTS +LIB_LPK="lapack.a blas.a" +LIB_FFT="fftlib.a" + +echo > make.inc +echo "MAKE = make" >> make.inc +echo "F90 = $F90" >> make.inc +echo "F90_OPTS = $F90_OPTS" >> make.inc +echo "F77 = $F77" >> make.inc +echo "F77_OPTS = $F77_OPTS" >> make.inc +echo "AR = $AR" >> make.inc +echo "LIB_SYS = " >> make.inc +echo "# LAPACK and BLAS libraries" >> make.inc +echo "LIB_LPK = $LIB_LPK" >> make.inc +echo "LIB_FFT = $LIB_FFT" >> make.inc +echo "SRC_OMP = " >> make.inc +cat make.def >> make.inc + +make all + +install -m 0755 src/elk ${PREFIX}/bin/ +install -m 0755 src/eos/eos ${PREFIX}/bin/ +install -m 0755 src/spacegroup/spacegroup ${PREFIX}/bin/ diff --git a/recipes/elk/meta.yaml b/recipes/elk/meta.yaml new file mode 100644 index 0000000000000..bd102e4a90c98 --- /dev/null +++ b/recipes/elk/meta.yaml @@ -0,0 +1,44 @@ +{% set name = "elk" %} +{% set version = "8.4.21" %} + +package: + name: {{ name }} + version: {{ version }} + +source: + url: https://sourceforge.net/projects/elk/files/elk-{{ version }}.tgz + sha256: 4e04f87a3bf9e16c3839b4b16a222b4ef92d11a18b0b472fb196c23d39bdb4df + +build: + skip: True # [not linux] + number: 0 + run_exports: + - {{ pin_subpackage(name, max_pin='x') }} + +requirements: + build: + - make + - {{ stdlib('c') }} + - {{ compiler('c') }} + - {{ compiler('fortran') }} + host: + - perl + - libgomp # [linux] + - llvm-openmp # [osx] + run: + +test: + commands: + - elk --help + +about: + home: https://sourceforge.net/projects/elk/ + license: GPL-3.0-or-later + license_family: GPL3 + license_file: COPYING + summary: An all-electron full-potential linearised augmented-planewave (FP-LAPW) code + dev_url: https://sourceforge.net/projects/elk/ + +extra: + recipe-maintainers: + - martin-g